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4-chlorotoluene

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Name

4-chlorotoluene

EINECS 203-397-0
CAS No. 106-43-4 Density 1.075 g/cm3
PSA 0.00000 LogP 2.64840
Solubility <0.1 g/100 mL at 20 °C Melting Point 6-8 °C(lit.)
Formula C7H7Cl Boiling Point 158.5 °C at 760 mmHg
Molecular Weight 126.586 Flash Point 46.2 °C
Transport Information UN 2238 3/PG 3 Appearance clear liquid
Safety 24/25-61-45-36/37-16-7 Risk Codes 20-51/53-39/23/24/25-23/24/25-11-10
Molecular Structure Molecular Structure of 106-43-4 (4-Chlorotoluene) Hazard Symbols HarmfulXn,DangerousN,ToxicT,FlammableF
Synonyms

Toluene,p-chloro- (8CI);1-Chloro-4-methylbenzene;1-Methyl-4-chlorobenzene;4-Chloro-1-methylbenzene;4-Methylchlorobenzene;4-Methylphenyl chloride;4-Tolyl chloride;NSC 404114;p-Chloromethylbenzene;p-Chlorotoluene;p-Methylchlorobenzene;p-Tolyl chloride;para-Chlorotoluene;

Article Data 315

4-chlorotoluene Synthetic route

873-76-7

para-Chlorobenzyl alcohol

106-43-4

para-chlorotoluene

Conditions
ConditionsYield
With hydrazine hydrate; C23H40MnNO2P2; potassium tert-butylate In tert-butyl alcohol at 115℃; for 48h; Wolff-Kishner Reduction; Green chemistry;99%
With carbon monoxide; hydrogen; benzene at 190℃; under 176522 Torr; Reagens 4: Octacarbonyldikobalt, Reagens 5: Kobaltcarbonat;
With 2,4,6-trimethyl-pyridine; 4,4'-dimethoxyphenyl disulfide; iridium(lll) bis[2-(2,4-difluorophenyl)-5-methylpyridine-N,C20]-4,40-di-tert-butyl-2,20-bipyridine hexafluorophosphate; triphenylphosphine In toluene for 24h; Irradiation;74 %Chromat.
624-31-7

4-tolyl iodide

106-43-4

para-chlorotoluene

Conditions
ConditionsYield
With nickel dichloride In N,N-dimethyl-formamide at 170℃; for 0.0833333h; microwave irradiation;99%
With bis(1,5-cyclooctadiene)nickel (0); potassium phosphate; tetrabutyl-ammonium chloride; 4,4'-di-tert-butyl-2,2'-bipyridine In tetrahydrofuran at 20℃; for 30h; Inert atmosphere; Glovebox; Sealed tube; Irradiation;7 %Chromat.
106-38-7

para-bromotoluene

106-43-4

para-chlorotoluene

Conditions
ConditionsYield
With nickel dichloride In N,N-dimethyl-formamide at 170℃; for 0.0833333h; microwave irradiation;95%
With trans-bis(glycinato)copper(II) monohydrate; tetramethlyammonium chloride In ethanol at 100℃; for 10h; Reagent/catalyst; Finkelstein Reaction; Schlenk technique; Inert atmosphere;93%
With CuCl-alumina In various solvent(s) at 150℃; for 12h;67%
With copper(I) oxide; tetramethlyammonium chloride; L-proline In ethanol at 110℃; for 20h; Inert atmosphere;98 %Chromat.
With iron(III) chloride; sodium chloride In acetonitrile for 2h; Kinetics; Irradiation; Green chemistry; regioselective reaction;
106-39-8

bromochlorobenzene

5158-46-3

methylzinc chloride

106-43-4

para-chlorotoluene

Conditions
ConditionsYield
With palladium; triphenylphosphine In tetrahydrofuran at 70℃; for 12h; Catalytic behavior; Negishi Coupling; Inert atmosphere; Green chemistry;95%
106-49-0

p-toluidine

106-43-4

para-chlorotoluene

Conditions
ConditionsYield
With potassium nitrite; potassium chloride; sodium chloride; iron(II) bromide In water at 20 - 80℃; for 6.16667h; Temperature;91%
Stage #1: p-toluidine With para-dodecylbenzenesulfonic acid; sodium nitrite In tetrachloromethane at 20℃;
Stage #2: With triethylamine In tetrachloromethane at 70℃;
45%
With tert.-butylnitrite; copper dichloride In acetonitrile
622-95-7

4-chlorobenzyl bromide

106-43-4

para-chlorotoluene

Conditions
ConditionsYield
With sodium tetrahydroborate; cetyltributylphosphonium bromide In water; toluene at 18℃; for 0h; Product distribution;91%
With sodium tetrahydroborate; water In methanol at 20℃; for 0.25h; regioselective reaction;81%
With phosphonic Acid; iodine In 1,2-dichloro-ethane at 120℃; for 36h; Inert atmosphere;98 %Chromat.
With dithionite(2-) In aq. phosphate buffer; acetonitrile at 4℃; pH=7; Kinetics; Inert atmosphere;

4-methyl-benzenediazonium; tetrachloro cuprate(II)

106-43-4

para-chlorotoluene

Conditions
ConditionsYield
In dimethyl sulfoxide Ambient temperature;89%
104-83-6

1-Chloro-4-(chloromethyl)benzene

106-43-4

para-chlorotoluene

Conditions
ConditionsYield
With methanol; magnesium Ambient temperature;87%
With sodium tetrahydroborate In various solvent(s) at 70℃; for 2h;76%
With Perbenzoic acid; tri-n-butyl-tin hydride In benzene at 90℃; for 12h; Mechanism; in the presence of α-chlorotoluene (competitor), relative reactivity;
6258-66-8

(4-chlorophenyl)methanethiol

106-43-4

para-chlorotoluene

Conditions
ConditionsYield
With di-tert-butyl peroxide; triethyl phosphite In toluene87%
With di-tert-butyl peroxide; triethyl phosphite In acetonitrile at 25℃; for 6h; Irradiation;87%
With hexacarbonyl molybdenum In tetrahydrofuran Heating;61%
dicobalt octacarbonyl In water; benzene at 185 - 190℃; under 46543.3 Torr;44%
57573-52-1

4-methylbenzene diazonium

106-43-4

para-chlorotoluene

Conditions
ConditionsYield
With tin(II); chloride; copper(II) nitrate In water Ambient temperature;80%

4-chlorotoluene Chemical Properties

Product Name: 4-chlorotoluene (CAS NO.106-43-4)

Molecular Formula: C7H7Cl
Molecular Weight: 126.58g/mol
Mol File: 106-43-4.mol
EINECS: 203-397-0
Melting Point: 6-8 °C(lit.)
Boiling point: 158.5 °C at 760 mmHg
Storage Temperature: 0-6°C
Flash Point: 46.2 °C
Density: 1.075 g/cm3
Refractive index: n20/D 1.52(lit.)
Water Solubility: <0.1 g/100 mL at 20 ºC
Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
Index of Refraction: 1.523 
Molar Refractivity: 35.97 cm3 
Molar Volume: 117.6 cm3 
Surface Tension: 32.4 dyne/cm
Enthalpy of Vaporization: 37.89 kJ/mol
Vapour Pressure: 3.39 mmHg at 25°C
XLogP3-AA: 3.3
H-Bond Donor: 0
H-Bond Acceptor: 0
Structure Descriptors of 4-chlorotoluene (CAS NO.106-43-4):
  IUPAC Name: 1-chloro-4-methylbenzene
  Canonical SMILES: CC1=CC=C(C=C1)Cl
  InChI: InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3 
  InChIKey: NPDACUSDTOMAMK-UHFFFAOYSA-N
Product Categories: Analytical Chemistry; Standard Solution of Volatile Organic Compounds for Water & Soil Analysis; Standard Solutions (VOC); Pesticides&Metabolites; Aryl; C7; Halogenated Hydrocarbons; Alpha Sort; CAlphabetic; Volatiles/ Semivolatiles; Alphabetic; C; CH

4-chlorotoluene Uses

4-chlorotoluene is used as the intermediates of organic reagents, pharmaceutical intermediates,and 4-chlorotoluene also used in the process of synthesis of Chlorobenzaldehyde

4-chlorotoluene Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 unreported 3750mg/kg (3750mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 46(2), Pg. 67, 1981.
mouse LC50 inhalation 34gm/m3/2H (34000mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 38, 1982.
mouse LD50 oral 1900mg/kg (1900mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 38, 1982.
mouse LD50 unreported 4gm/kg (4000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: EXCITEMENT
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 46(2), Pg. 67, 1981.
rat LD50 oral 2100mg/kg (2100mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Office of Toxic Substances Report. Vol. OTS0513162,
rat LD50 unreported 4gm/kg (4000mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(12), Pg. 64, 1980.

4-chlorotoluene Safety Profile

Safety Information of 4-chlorotoluene (CAS NO.106-43-4):
Hazard Codes: XnHarmful,NDangerous,TToxic,FFlammable
Risk Statements: 20-51/53-39/23/24/25-23/24/25-11-10  
R20:Harmful by inhalation. 
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 
R39:Danger of very serious irreversible effects. 
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed. 
R11:Highly flammable. 
R10:Flammable.
Safety Statements: 24/25-61-45-36/37-16-7 
S24/25:Avoid contact with skin and eyes. 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S36/37:Wear suitable protective clothing and gloves. 
S16:Keep away from sources of ignition. 
S7:Keep container tightly closed.
RIDADR: UN 2238 3/PG 3
WGK Germany: 2
RTECS: XS9010000
Hazard Note: Harmful
HazardClass: 3
PackingGroup: III
HS Code: 29036990

4-chlorotoluene Specification

 4-chlorotoluene , its CAS NO. is 106-43-4, the synonyms are Synonyms  1-Chloro-4-methylbenzene ; 1-Methyl-4-chlorobenzene ; 4-Chloro-1-methylbenzene ; 4-Chlorotoluene ; Benzene, 1-chloro-4-methyl- ; Toluene, p-chloro- ; p-Chlorotoluene ; p-Tolyl chloride .

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