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Cas Database

78-77-3

78-77-3

Identification

  • Product Name:1-Bromo-2-methylpropane

  • CAS Number: 78-77-3

  • EINECS:201-141-2

  • Molecular Weight:137.019

  • Molecular Formula: C4H9Br

  • HS Code:29033036

  • Mol File:78-77-3.mol

Synonyms:1-bromo-2-methyl-propane;Propane,1-bromo-2-methyl-;1-bromo-isobutane;Propane, 1-bromo-2-methyl-;Bromoisobutane;iso-Butyl bromide;Trimethyl bromomethane;1-bromo-2-methyl propane;iso-Butylbromide;Turmeric Colour;1-bromo-2-methyl propane 99%;

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Safety information and MSDS view more

  • Pictogram(s):FlammableF,IrritantXi

  • Hazard Codes:F,Xi

  • Signal Word:Danger

  • Hazard Statement:H225 Highly flammable liquid and vapourH315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation

  • 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:Usbiological
  • Product Description:1-Bromo-2-methylpropane
  • Packaging:25g
  • Price:$ 403
  • Delivery:In stock
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  • Manufacture/Brand:TRC
  • Product Description:1-Bromo-2-methylpropane
  • Packaging:25g
  • Price:$ 110
  • Delivery:In stock
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  • Manufacture/Brand:TRC
  • Product Description:1-Bromo-2-methylpropane
  • Packaging:250g
  • Price:$ 180
  • Delivery:In stock
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  • Manufacture/Brand:TCI Chemical
  • Product Description:1-Bromo-2-methylpropane >97.0%(GC)
  • Packaging:25g
  • Price:$ 19
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  • Manufacture/Brand:TCI Chemical
  • Product Description:1-Bromo-2-methylpropane >97.0%(GC)
  • Packaging:500g
  • Price:$ 74
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:iso-Butyl bromide
  • Packaging:1 kg
  • Price:$ 176
  • Delivery:In stock
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:1-Bromo-2-methylpropane for synthesis. CAS 78-77-3, chemical formula (CH ) CHCH Br., for synthesis
  • Packaging:8015491000
  • Price:$ 128
  • Delivery:In stock
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:1-Bromo-2-methylpropane for synthesis
  • Packaging:1 L
  • Price:$ 123.02
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:1-Bromo-2-methylpropane 99%
  • Packaging:500g
  • Price:$ 106
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:1-Bromo-2-methylpropane 99%
  • Packaging:100g
  • Price:$ 36.8
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Relevant articles and documentsAll total 16 Articles be found

-

Noller,Dinsmore

, p. 1025,1028, 1030 (1932)

-

New preparation method of febuxostat intermediate

-

Paragraph 0098-0100, (2020/03/06)

The invention relates to a new preparation method of a febuxostat intermediate. The method includes: taking cheap 4-hydroxybenzaldehyde as an initial raw material, firstly preparing aldoxime from 4-hydroxybenzaldehyde and hydroxylamine hydrochloride, then adding a corresponding thio reagent, and preparing a compound 4-hydroxythiobenzamide (152A1-00) by Beckmann rearrangement reaction; utilizing one-pot process, adopting cheap 4-hydroxybenzaldehyde as an initial raw material, carrying out a series of reactions, and then performing cyclization with 2-halogenated ethyl acetoacetate to obtain ethyl 2-(4-hydroxyphenyl)-4-methyl-5-thiazolecarboxylate or different salt forms (152A2x) thereof; and using isobutyl sulfonate (152H1x) with more easily controllable quality to replace bromo-isobutane soas to prepare ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate (152A4-00). In conclusion, the method provided by the invention is more beneficial to safe, simple and cost-efficientindustrial scale preparation of the febuxostat intermediate with higher purity.

PROCESSES FOR MAKING ALKYL HALIDES

-

Page/Page column 8, (2010/09/18)

The invention is directed to processes for producing an alkyl halide, preferably isobutyl bromide. In one embodiment, the process comprises the steps of: (a) contacting an alcohol with a hydrogen halide in a reactor at elevated temperature under conditions effective to form an initial product mixture comprising the alkyl halide, the alcohol, the hydrogen halide and water; (b) cooling the initial product mixture to form a cooled organic phase positioned above a cooled aqueous phase; (c) separating the cooled organic phase from the cooled aqueous phase. The process preferably further comprises a step of: (d) heating at least a portion of the cooled aqueous phase under conditions effective to form additional alkyl halide.

Scavenger assisted combinatorial process for preparing libraries of tertiary amine compounds

-

, (2008/06/13)

This invention relates to a novel solution phase process for the preparation of tertiary amine combinatorial libraries. These libraries have utility for drug discovery and are used to form wellplate components of novel assay kits.

Kinetics and thermochemistry of the R + HBr ? RH + Br (R = n-C3H7, isoC3H7, n-C4H9, isoC4H9, sec-C4H9 or tert-C4H9) equilibrium

Seetula, Jorma A.,Slagle, Irene R.

, p. 1709 - 1719 (2007/10/03)

The kinetics of the reactions of n-C3H7, isoC3H7, n-C4H9, isoC4H9, sec-C4H9 and tert-C4H9 radicals, R, with HBr have been investigated in a beatable tubular reactor coupled to a photoionization mass spectrometer. The reactions were studied by a time-resolved technique under pseudo-first-order conditions, where the rate constants of R + HBr reactions were obtained by monitoring the decay of the radical as a function of time. The radical was photogenerated in situ in the flow reactor by pulsed 248 nm exciplex laser radiation. All six reactions were studied separately over a wide range of temperatures and, in these temperature ranges, the rate constants determined were fitted to an Arrhenius expression (error limits stated are 1σ + Students t values, units cm3 molecule-1 s-1): k(n-C3H7) = (1.6 ± 0.2) × 10-12 exp[+(5.4 ± 0.2) kJ mol-1/RT], k(isoC3H7) = (1.4 ± 0.2) × 10-12 exp[+(6.9 ± 0.2) kJ mol-1/RT], k(n-C4H9) = (1.3 ± 0.2) × 10-12 exp[+(6.4 ± 0.4) kJ mol-1/RT], k(isoC4H9) = (1.4 ± 0.2) × 10-12 exp[+(6.1 ± 0.2) kJ mol-1/RT], k(sec-C4H9) = (1.4 ± 0.3) × 10-12 exp[+(7.5 ± 0.3) kJ mol-1/RT] and k(tert-C4H9) = (1.2 ± 0.3) × 10-12 exp[+(8.3 ± 0.3) kJ mol-1/RT]. The kinetic information was combined with the kinetics of the Br + RH reactions to calculate the entropy and the heat of formation values for the radicals studied. The thermodynamic values were obtained at 298 K using a second-law procedure. The entropy values and enthalpies of formation are (entropy in J K-1 mol-1 and enthalpy in kJ mol-1): 284 ± 5, 100.8 ± 2.1 (n-C3H7); 281 ± 5, 86.6 ± 2.0 (isoC3H7); 329 ± 5, 80.9 ± 2.2 (n-C4H9); 316 ± 5, 72.7 ± 2.2 (isoC4H9); 330 ± 5, 66.7 ± 2.1 (sec-C4H9) and 315 ± 4, 51.8 ± 1.3 (tert-C4H9). The C-H bond strength of analogous saturated hydrocarbons derived from the enthalpy of reaction values are (in kJ mol-1): 423.3 ± 2.1 (primary C-H bond in propane), 409.1 ± 2.0 (secondary C-H bond in propane), 425.4 ± 2.1 (primary C-H bond in n-butane), 425.2 ± 2.1 (primary C-H bond in isobutane), 411.2 ± 2.0 (secondary C-H bond in n-butane) and 404.3 ± 1.3 (tertiary C-H bond in isobutane). The enthalpy of formation values are used in group additivity calculations to estimate Δf H298○ values of six pentyl and four hexyl free radical isomers.

Functionalization of saturated hydrocarbons by aprotic superacids 4. Ionic bromination of ethane and other alkanes and cycloalkanes with molecular bromine in the presence of systems based on polyhalomethanes and AlBr3 under mild conditions

Akhrem,Orlinkov,Afanas'eva,Vol'pin

, p. 1148 - 1153 (2007/10/03)

Aprotic organic superacids CBr4 · 2AlBr3, CBr4 · AlBr3, · CCl4 · 2AlBr3, CCl4 · 2AlBr3, and C6F5CF3 · 2AlBr3 efficiently catalyze the bromination of alkanes and cycloalkanes with Br2. Ethane is selectively brominated at 55-65 °C to give mostly 1,2-dibromoethane (stoichiometric reaction). Propane, butane, cyclopentane, cyclohexane, and methyl-cyclopentane react with Br2 at -40 to -20 °C with good selectivity affording monobromides in high yields (catalytic reactions).

Process route upstream and downstream products

Process route

t-butyl bromide
507-19-7

t-butyl bromide

Isobutyl bromide
78-77-3

Isobutyl bromide

Conditions
Conditions Yield
With norborn-2-ene; N-bromobis(trimethylsilyl)amine; at 44.9 ℃; for 2h; Product distribution; Mechanism; Irradiation; variation of temperature, time, reagent concentration, initiation method;
With N-Bromosuccinimide; In dichloromethane; at 15 ℃; Product distribution; Irradiation; CH2CCl2; influence of additive - BrCCl3;
With N-Bromosuccinimide; 1,1-Dichloroethylene; In dichloromethane; at 14 - 15 ℃;
0.084 mmol
0.133 mmol
t-butyl bromide
507-19-7

t-butyl bromide

Isobutyl bromide
78-77-3

Isobutyl bromide

s-butyl bromide
78-76-2,5787-31-5

s-butyl bromide

Conditions
Conditions Yield
With 2AlBr3*CBr4; bromine; at -20 ℃; for 2h; Title compound not separated from byproducts;
With 2AlBr3*CBr4; bromine; In various solvent(s); at -20 ℃; for 2h; Yields of byproduct given. Title compound not separated from byproducts;
With 2AlBr3*CBr4; bromine; at -20 ℃; for 2h; Yield given. Title compound not separated from byproducts;
With 2AlBr3*CBr4; bromine; In various solvent(s); at -20 ℃; for 2h; Yield given. Title compound not separated from byproducts;
t-butyl bromide
507-19-7

t-butyl bromide

Isobutyl bromide
78-77-3

Isobutyl bromide

<i>tert</i>-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
Conditions Yield
With IVTPP(OIPh)>2O; In chlorobenzene; at 25 ℃; for 1h; Product distribution; Mechanism; further reagents (BrMnIIITPP);
11 % Chromat.
13 % Chromat.
2 % Chromat.
tertiary butyl chloride
507-20-0

tertiary butyl chloride

t-butyl bromide
507-19-7

t-butyl bromide

Isobutyl bromide
78-77-3

Isobutyl bromide

<i>tert</i>-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
Conditions Yield
With (5,10,15,20-tetraphenylporphyrinato)manganese(III) chloride; IVTPP(OIPh)>2O; In chlorobenzene; at 25 ℃; Product distribution; Mechanism;
10 % Chromat.
11 % Chromat.
2 % Chromat.
7 % Chromat.
tertiary butyl chloride
507-20-0

tertiary butyl chloride

t-butyl bromide
507-19-7

t-butyl bromide

Isobutyl bromide
78-77-3

Isobutyl bromide

isobutyryl chloride
513-36-0

isobutyryl chloride

<i>tert</i>-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
Conditions Yield
With IVTPP(OIPh)>2O; BrMnIIITPP; In chlorobenzene; at 25 ℃; Product distribution; Mechanism;
11 % Chromat.
6 % Chromat.
2 % Chromat.
18 % Chromat.
2 % Chromat.
isobutyryl chloride
513-36-0

isobutyryl chloride

t-butyl bromide
507-19-7

t-butyl bromide

Isobutyl bromide
78-77-3

Isobutyl bromide

Conditions
Conditions Yield
With aluminium trichloride; hydrogen bromide;
t-butyl bromide
507-19-7

t-butyl bromide

Isobutyl bromide
78-77-3

Isobutyl bromide

Conditions
Conditions Yield
With hydrogen bromide; acetic acid;
hydrogen bromide
10035-10-6,12258-64-9

hydrogen bromide

t-butyl bromide
507-19-7

t-butyl bromide

Isobutyl bromide
78-77-3

Isobutyl bromide

Conditions
Conditions Yield
at 221 ℃; Gleichgewicht;
at 275 ℃; Gleichgewicht;
acetic acid
64-19-7,77671-22-8

acetic acid

t-butyl bromide
507-19-7

t-butyl bromide

Isobutyl bromide
78-77-3

Isobutyl bromide

Conditions
Conditions Yield
With hydrogen bromide;
diisobutyl ether
628-55-7

diisobutyl ether

hydrogen bromide
10035-10-6,12258-64-9

hydrogen bromide

2-methyl-propan-1-ol
78-83-1

2-methyl-propan-1-ol

t-butyl bromide
507-19-7

t-butyl bromide

Isobutyl bromide
78-77-3

Isobutyl bromide

Conditions
Conditions Yield
at 26 ℃;

Global suppliers and manufacturers

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  • Amadis Chemical Co., Ltd.
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  • Chemwill Asia Co., Ltd.
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