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Cas Database

507-20-0

507-20-0

Identification

  • Product Name:Propane, 2-chloro-2-methyl-

  • CAS Number: 507-20-0

  • EINECS:208-066-4

  • Molecular Weight:92.5685

  • Molecular Formula: C4H9Cl

  • HS Code:29031980

  • Mol File:507-20-0.mol

Synonyms:2-Chloroisobutane;2-Methyl-2-chloropropane;2-Methyl-2-propyl chloride;Trimethylchloromethane;tert-Butylchloride;

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Safety information and MSDS view more

  • Pictogram(s):FlammableF

  • Hazard Codes:F

  • Signal Word:Warning

  • Hazard Statement:H225 Highly flammable liquid and vapour

  • First-aid measures: General adviceConsult a physician. Show this safety data sheet to the doctor in attendance.If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

  • Fire-fighting measures: Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Wear self-contained breathing apparatus for firefighting if necessary.

  • Accidental release measures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8. Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

  • Handling and storage: Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2. Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

  • Exposure controls/personal protection:Occupational Exposure limit valuesBiological limit values Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Eye/face protection Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Respiratory protection Wear dust mask when handling large quantities. Thermal hazards

Supplier and reference price

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  • Manufacture/Brand:TRC
  • Product Description:2-Chloro-2-methylpropane
  • Packaging:100ml
  • Price:$ 165
  • Delivery:In stock
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  • Manufacture/Brand:TRC
  • Product Description:2-Chloro-2-methylpropane
  • Packaging:25ml
  • Price:$ 85
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  • Manufacture/Brand:TCI Chemical
  • Product Description:2-Chloro-2-methylpropane >98.0%(GC)
  • Packaging:25mL
  • Price:$ 13
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  • Manufacture/Brand:TCI Chemical
  • Product Description:2-Chloro-2-methylpropane >98.0%(GC)
  • Packaging:500mL
  • Price:$ 45
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:2-Chloro-2-methylpropane
  • Packaging:2.5 kg
  • Price:$ 215
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:2-Chloro-2-methylpropane
  • Packaging:500 g
  • Price:$ 85
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:2-Chloro-2-methylpropane
  • Packaging:100 g
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:2-Chloro-2-methylpropane
  • Packaging:25 g
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:2-Chloro-2-methylpropane puriss. p.a., ≥99.0% (GC)
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:2-Chloro-2-methylpropane puriss. p.a., ≥99.0% (GC)
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Relevant articles and documentsAll total 100 Articles be found

Activation of C-S bond by group 10 metal complexes: Reaction of phosphine ligand tethered with three tert-butylthiophenyl groups with group 10 metal compounds

Takeda, Nobuhiro,Tanaka, Yusuke,Oma, Rin,Sakakibara, Fumiaki,Unno, Masafumi

, p. 922 - 930 (2016)

A new PS3-type tripodal tetradentate ligand, P(2-t-BuSC6H4)3 (1b), was synthesized by reaction of PCl3 with 2-t-BuS(C6H4)Li. Reaction of ligand 1b with NiCl26H2O resulted in the elimination of t-BuCl to afford the corresponding 5-coordinate nickel complex, [NiCl(P(2-SC6H4)(2-t-BuSC6H4)2}] 6. In addition, ligand 1b reacted with [PdCl2(PhCN)2] and [PtCl2(cod)] to give 4-coordinate square planar palladium and platinum complexes, [MCl(P(2-SC6H4)(2-t-BuSC6H4)2}] (7: M = Pd, 8: M = Pt), respectively, via the elimination of t-BuCl. Further elimination of t-BuCl from palladium complex 7 proceeded by heating of 7 in CDCl3 at 100°C for 4h to form dipalladium complex, [Pd2(P(2-SC6H4)2(2-t-BuSC6H4))2] (9). The isopropyl-substituted palladium and platinum complexes, [PdCl{P(2-i-PrSC6H4)3}]Cl (3a) and [PtCl2{P(2-i-PrSC6H4)3}] (5), also underwent the elimination of i-PrCl by the thermolysis in CDCl3 at 60 °C to afford the corresponding complexes, [MCl{P(2-SC6H4)(2-i-PrSC6H4)2}] (11: M = Pd, 12: M = Pt). The structures of these complexes were determined by NMR spectroscopy, elemental analyses, and X-ray crystallography.

-

Schmerling

, p. 1423 (1944)

-

Stabilities of Carbonium Ions in Solution. 12. Heats of Formation of Alkyl Chlorides as an Entree to Heats of Solvation of Aliphatic Carbonium Ions

Arnett, Edward M.,Pienta, Norbert J.

, p. 3329 - 3334 (1980)

Heats of formation (ΔHf) of tertiary alkyl chlorides may be calculated from measurements of the heats of hydrochlorination of appropriate olefins at -50 deg C in CH2Cl2.Since many good values for heats of formation of the olefins have been published, the heats of hydrochlorination lead directly to ΔHf for the chlorides, for which few previous values are available.The new data, when combined with previously reported heats of ionization for the chlorides, provide heats of formation for the carbonium ions.Relative values for ΔHf for the carbonium ions are remarkably similar in the gas phase and in SO2ClF, thus supporting the proposal that differential solvation of carbonium ions is small in solvents such as SO2ClF.Because solvation energies are nearly constant for carbonium ions, their relative energies as calculated from quantum theory should apply directly to nonnucleophilic condensed phase values - a situation which is drastically different from that for ammonium or oxonium ions.We have shown previously the close relationship between ionization energies for alkyl chlorides in SO2ClF and their solvolysis rates in ethanol.The present results complete the series of data which are necessary for rigorously relating theoretical calculations of carbonium ion stability to solvolysis reaction rates in solution.Thereby, they help to explain the great success of the carbonium ion theory of organic chemistry.

Matrix Isolation Study of Complexation and Exchange Reactions of Molecular Halogens with tert-Butyl Halides

Bai, Hebi,Ault, Bruce S.

, p. 3080 - 3084 (1991)

The 1/1 molecular complexes of tert-butyl chloride and bromide with ClF, Cl2 and Br2 have been isolated and characterized in argon matrices following twin-jet deposition.Perturbed vibrational modes of the tert-butyl halide, including the carbon-halogen stretching and the CH3 rocking modes, were observed upon complex formation.For the ClF complexes, the red-shifted Cl-F stretching mode was observed as well.The twin-jet codeposition of (CH3)3Br with Cl2 and ClF led to the exchange reaction product (CH3)3CCl, despite the very short mixing time in these experiments.The single-jet codeposition of these pairs of reactants led to further reactions, forming tert-butyl fluoride in the ClF experiments and 1,2-dichloro-2-methylpropane in the reactions of (CH3)3CCl and (CH3)3CBr with Cl2.While the halogen-exchange reactions are very facile, these results support the intermediacy of molecular complexes during the reaction process.

UN NOUVEAU DIPHOSPHENE STABLE : LE BISDIPHOSPHENE

Couret, Claude,Escudie, Jean,Satge, Jacques

, p. 4941 - 4942 (1982)

A new stable diphosphene (Me3Si)3C-P=P-C(SiMe3)3 has been isolated and characterized particularly by its NMR data; the 31P NMR chemical shift appears to be the largest ever observed.

-

Bartlett,Condon bei Schmerling

, p. 1152 (1945)

-

-

Cook,Parker

, p. 142 (1968)

-

Fischer,Laroff

, p. 217,221, 223, 224 (1974)

Speer, R. J.

, p. 655 - 659 (1949)

Kinetics of the Reactions of Methyl, Ethyl, Isopropyl, and tert-Butyl Radicals with Molecular Chlorine

Timonen, Raimo S.,Gutman, David

, p. 2987 - 2991 (1986)

The gas-phase kinetics of the reactions of four alkyl radicals (CH3, C2H5, i-C3H7, and t-C4H9) with molecular chlorine have been studied over limited temperature ranges.The reactions were isolated for quantitative study in a tubular reactor coupled to a photoionization mass spectrometer.The radicals were homogeneously generated in the reactor by pulsed photolysis of suitable precursor molecules at 193 nm.The subsequent decays of the radical concentration in the presence of different molecular chlorine concentrations were monitored in real-time experiments.For each reaction studied, rate constants (k) were measured at a minimum of five temperatures.The temperature-dependent expressions for log k derived from these studies for the four R + Cl2 -> RCl + Cl reactions and the temperature ranges covered are as follows: R = CH3 , 296-712 K; R = C2H5 , 295-498 K; R = i-C3H7 , 298-498 K; R = t-C4H9 , 298-498 K.Units are cm3 molecule-1 s-1.The measured rate constants, their closeness to those of corresponding R + O3 rate constants, and the results of a prior study of the dynamics of the CH3 + Cl2 reaction indicate that the reactivity of alkyl radicals with molecular chlorine is determined largely by long-range attractive forces.

-

Milas,Harris

, p. 2434 (1938)

-

Andrianov,Ktoyan

, (1975)

-

Majima,Simanuki

, (1927)

-

Hydrochlorination of Alkenes. 2. Reaction of Gases Hydrogen Chloride and 2-Methylpropene

Costello, Francis,Dalton, David R.,Poole, John A.

, p. 5352 - 5357 (1986)

Mixtures of gaseous hydrogen chloride and gaseous 2-methylpropene at total pressures less than 1 atm yield, exclusively, gaseous 2-chloro-2-methylpropane.Kinetic measurements have been made by proton magnetic resonance and infrared spectroscopy and by observing the pressure change accompanying the reaction.It is concluded that surface catalysis is required for product formation and that the reaction, which occurs at the walls, is most probably between strongly adsorbed hydrogen chloride and weakly adsorbed 2-methylpropene; i.e., a Rideal-Eley mechanism obtains.

Method for synthesizing musk xylene from gamma-lactone byproduct azeotrope

-

Paragraph 0044-0049; 0059-0064, (2021/04/17)

The invention discloses a method for synthesizing musk xylene from a gamma-lactone byproduct azeotrope. The method comprises the following steps: 1, carrying out chlorination reaction on tert-butyl alcohol namely a byproduct in the production process of gamma-lactone and hydrochloric acid to obtain chloro-tert-butane; 2, carrying out a condensation reaction on chloro-tert-butane and m-xylene, neutralizing, washing with water, and distilling to recover m-xylene so as to obtain 1,3-dimethyl-5-tert-butyl benzene; and 3, carrying outnitration reaction on 1,3-dimethyl-5-tert-butyl benzene to obtain a musk xylene crude product, carrying out neutralization washing, crystallization, centrifugation and a series of separation and purification to obtain a 99% musk xylene product. An initiator di-tert-butyl peroxide used in the production process of gamma-lactone is hydrolyzed, the high-content musk xylene is prepared from the generated byproduct 80% tert-butyl alcohol and a water azeotrope starting raw material through chlorination, condensation and nitration reactions, the synthesis steps are relatively simple, and the byproduct resources are comprehensively utilized.

Aryloxy Triester Phosphoramidates as Phosphoserine Prodrugs: A Proof of Concept Study

Dhiani, Binar A.,James, Edward,Kadri, Hachemi,Lambourne, Olivia A.,Mehellou, Youcef,Miccoli, Ageo,Thornton, Peter J.

supporting information, (2020/03/30)

The specific targeting of protein-protein interactions by phosphoserine-containing small molecules has been scarce due to the dephosphorylation of phosphoserine and its charged nature at physiological pH, which hinder its uptake into cells. To address these issues, we herein report the synthesis of phosphoserine aryloxy triester phosphoramidates as phosphoserine prodrugs that are enzymatically metabolized to release phosphoserine. This phosphoserine-masking approach was applied to a phosphoserine-containing inhibitor of 14-3-3 dimerization, and the generated prodrugs exhibited improved pharmacological activity. Collectively, this provided a proof of concept that the masking of phosphoserine with biocleavable aryloxy triester phosphoramidate masking groups is a viable intracellular delivery system for phosphoserine-containing molecules. Ultimately, this will facilitate the discovery of phosphoserine-containing small-molecule therapeutics.

Chlorinating preparation method for low-carbon olefins

-

Paragraph 0037-0039, (2020/01/12)

The invention discloses a chlorinating preparation method for low-carbon olefins. According to the method, chlorine gas is diluted with inert gas and then reacts with low-carbon olefins, thus, influence caused by microscopic mixing can be obviously reduced, namely, a too high local temperature can be avoided, thus, side reactions including a decarbonization phenomenon caused by the too high localtemperature can be obviously reduced, and a relatively good chloride yield can be obtained.

Method for co-producing methyl chloropropene and 2-chloro-2-methylpropane by chlorination of isobutene

-

Paragraph 0022; 0026, (2020/01/12)

The invention discloses a method for co-producing methyl chloropropene and 2-chloro-2-methylpropane by chlorination of isobutene. According to the method, a chlorination reaction is carried out on chlorine or a mixture of chlorine and inert gas and excessive isobutene to obtain products, namely methyl chloropropene and 2-chloro-2-methylpropane. The method can reduce influence of micro-mixing on arapid chlorination reaction of isobutene, decarburization and coking do not occur easily, and 2-chloro-2-methylpropane can be co-produced while the yield of methyl chloropropene is improved.

Protecting and Leaving Functions of Trimethylsilyl Groups in Trimethylsilylated Silicates for the Synthesis of Alkoxysiloxane Oligomers

Yoshikawa, Masashi,Tamura, Yasuhiro,Wakabayashi, Ryutaro,Tamai, Misa,Shimojima, Atsushi,Kuroda, Kazuyuki

supporting information, p. 13990 - 13994 (2017/10/31)

The concept of protecting groups and leaving groups in organic synthesis was applied to the synthesis of siloxane-based molecules. Alkoxy-functionalized siloxane oligomers composed of SiO4, RSiO3, or R2SiO2 units were chosen as targets (R: functional groups, such as Me and Ph). Herein we describe a novel synthesis of alkoxysiloxane oligomers based on the substitution reaction of trimethylsilyl (TMS) groups with alkoxysilyl groups. Oligosiloxanes possessing TMS groups were reacted with alkoxychlorosilane in the presence of BiCl3 as a catalyst. TMS groups were substituted with alkoxysilyl groups, leading to the synthesis of alkoxysiloxane oligomers. Siloxane oligomers composed of RSiO3 and R2SiO2 units were synthesized more efficiently than those composed of SiO4 units, suggesting that the steric hindrance around the TMS groups of the oligosiloxanes makes a difference in the degree of substitution. This reaction uses TMS groups as both protecting and leaving groups for SiOH/SiO? groups.

Process route upstream and downstream products

Process route

hydrogenchloride
7647-01-0,15364-23-5

hydrogenchloride

tri-(tert-butyl)borate
7397-43-5

tri-(tert-butyl)borate

tertiary butyl chloride
507-20-0

tertiary butyl chloride

metaboric acid
13460-50-9

metaboric acid

Conditions
Conditions Yield
tert-butylhypochlorite
507-40-4

tert-butylhypochlorite

phosphorus trichloride
7719-12-2,52843-90-0

phosphorus trichloride

tertiary butyl chloride
507-20-0

tertiary butyl chloride

Conditions
Conditions Yield
at 10 - 15 ℃;
57%
2 g
hydrogenchloride
7647-01-0,15364-23-5

hydrogenchloride

t-butoxymethylbenzene
3459-80-1

t-butoxymethylbenzene

tertiary butyl chloride
507-20-0

tertiary butyl chloride

benzyl chloride
100-44-7

benzyl chloride

Conditions
Conditions Yield
t-butyl o-(N-methylcarbamoyl)phenyl sulphoxide

t-butyl o-(N-methylcarbamoyl)phenyl sulphoxide

2-methyl-1,2-benzisothiazole-3(2H)-one
2527-66-4

2-methyl-1,2-benzisothiazole-3(2H)-one

tertiary butyl chloride
507-20-0

tertiary butyl chloride

Conditions
Conditions Yield
With thionyl chloride; In dichloromethane; for 1h; Heating;
75%
92%
With thionyl chloride; In dichloromethane; for 1h; Mechanism; Product distribution; Heating;
92%
75%
tetrachloromethane
56-23-5

tetrachloromethane

C<sub>15</sub>H<sub>22</sub>N<sub>2</sub>O<sub>2</sub>S<sub>2</sub>

C15H22N2O2S2

2-methyl-1,2-benzisothiazole-3(2H)-one
2527-66-4

2-methyl-1,2-benzisothiazole-3(2H)-one

tertiary butyl chloride
507-20-0

tertiary butyl chloride

1,1,1,3-tetrachloro-3-methylbutane
23153-20-0

1,1,1,3-tetrachloro-3-methylbutane

Conditions
Conditions Yield
at 78 ℃; Product distribution; further study of 2-MeS-C6H4-CON(Me)CSNMe2;
55%
20%
28%
aluminium trichloride
7446-70-0

aluminium trichloride

chloroethylene
75-01-4,9002-86-2

chloroethylene

tertiary butyl chloride
507-20-0

tertiary butyl chloride

1,1-dichloro-3,3-dimethylbutane
6130-96-7

1,1-dichloro-3,3-dimethylbutane

Conditions
Conditions Yield
at -10 ℃;
4-t-butyl-o-xylene
7397-06-0

4-t-butyl-o-xylene

tertiary butyl chloride
507-20-0

tertiary butyl chloride

4-chloro-1,2-dimethylbenzene
615-60-1

4-chloro-1,2-dimethylbenzene

Conditions
Conditions Yield
With chlorine; iron(III) chloride; at 25 - 30 ℃; Product distribution;
4-t-butyl-o-xylene
7397-06-0

4-t-butyl-o-xylene

tertiary butyl chloride
507-20-0

tertiary butyl chloride

4-chloro-1,2-dimethylbenzene
615-60-1

4-chloro-1,2-dimethylbenzene

5-tert-butyl-3-chloro-o-xylene
42771-08-4

5-tert-butyl-3-chloro-o-xylene

4-tert-butyl-3-chloro-o-xylene
111199-20-3

4-tert-butyl-3-chloro-o-xylene

4-tert-butyl-5-chloro-o-xylene
66949-22-2

4-tert-butyl-5-chloro-o-xylene

Conditions
Conditions Yield
With chlorine; iron(III) chloride; at 25 ℃; Product distribution; other chlorinating agent, with or withour catalyst, various solvents;
tetrachloromethane
56-23-5

tetrachloromethane

Di-t-butyl ketone
815-24-7

Di-t-butyl ketone

tertiary butyl chloride
507-20-0

tertiary butyl chloride

chloroform
67-66-3,8013-54-5

chloroform

hexachloroethane
67-72-1

hexachloroethane

pivalaldehyde
630-19-3

pivalaldehyde

Conditions
Conditions Yield
In nujol; at 30 ℃; Product distribution; Irradiation;
tetrachloromethane
56-23-5

tetrachloromethane

di-tert-butyl peroxide
110-05-4

di-tert-butyl peroxide

tertiary butyl chloride
507-20-0

tertiary butyl chloride

chloroform
67-66-3,8013-54-5

chloroform

Conditions
Conditions Yield
at 140 ℃;

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