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74-87-3

Basic Information
CAS No.: 74-87-3
Name: Methyl chloride
Article Data: 719
Molecular Structure:
Molecular Structure of 74-87-3 (Methyl chloride)
Formula: CH3Cl
Molecular Weight: 50.4878
Synonyms: chloromethane;
EINECS: 200-817-4
Density: 0.895 g/cm3
Melting Point: -97 °C
Boiling Point: -24.2oC
Flash Point: -46oC
Appearance: colourless gas with a minorly sweet odor
Hazard Symbols: HighlyF+,HarmfulXn,ToxicT,FlammableF
Risk Codes: 12-40-48/20
Safety: 9-16-33
Transport Information: UN 1993 3/PG 1
PSA: 0.00000
LogP: 0.85500
Synthetic route
1928-38-7

methyl 2,4-dichlorophenoxyacetate

A

94-75-7

2,4-Dichlorophenoxyacetic acid

B

74-87-3

methylene chloride

Conditions
ConditionsYield
With hydrogenchloride; zinc(II) chloride In water at 140℃; for 4h; Reagent/catalyst; Temperature;A 99.6%
B 98.1%
756-79-6

dimethyl methane phosphonate

A

676-97-1

methylphosphonic acid dichloroanhydride

B

74-87-3

methylene chloride

Conditions
ConditionsYield
With thionyl chloride; N-Formylpiperidine for 19h; Heating; various conditions and cactalasts investigated;A 99.2%
B n/a
54705-23-6

methyl o-(N-methylcarbamoyl)phenyl sulphoxide

A

2527-66-4

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

B

74-87-3

methylene chloride

Conditions
ConditionsYield
With thionyl chloride In tetrachloromethane for 5h; Heating;A 99%
B n/a

[PdCl(N,N′-di-metyl-2,11-diaza[3,3](2,6)pyridinophane)(CH3)](2+)

56-34-8

tetraethylammonium chloride

A

74-87-3

methylene chloride

1414791-67-5

[PdCl2(N,N-di-metyl-2,11-diaza[3,3](2,6)pyridinophane)]

Conditions
ConditionsYield
In acetonitrile at 20℃; for 1h; Mechanism; Darkness;A 99%
B 99%
75-44-5

phosgene

104953-88-0

2,3-bis(dimethylamino)quinol-4-one

A

74-87-3

methylene chloride

B

104953-90-4

4-Dimethylamino-3-methyl-3H-oxazolo[4,5-c]quinolin-2-one

Conditions
ConditionsYield
With triethylamine In dichloromethane for 3h; Product distribution; Ambient temperature; aminoquinolones with COCl2;A n/a
B 98%
With triethylamine In dichloromethane for 3h; Ambient temperature;A n/a
B 98%
79054-68-5

N-phenyl-2-(methylsulfinyl)benzamide

A

2527-03-9

2-phenyl-1,2-benzisothiazolin-3-one

B

74-87-3

methylene chloride

Conditions
ConditionsYield
With thionyl chloride In dichloromethane for 0.166667h; Heating;A 98%
B n/a
79054-66-3

N-Cyclohexyl-2-methanesulfinyl-benzamide

A

74-87-3

methylene chloride

B

2527-02-8

2-cyclohexyl-1,2-benzisothiazol-3(2H)-one

Conditions
ConditionsYield
With thionyl chloride In dichloromethane Heating;A n/a
B 98%
79054-69-6

2-Methanesulfinyl-N-p-tolyl-benzamide

A

74-87-3

methylene chloride

B

2514-30-9

2-(4-tolyl)-1,2-benzisothiazol-3-one

Conditions
ConditionsYield
With thionyl chloride In dichloromethane Heating;A n/a
B 98%
79054-67-4

N-Benzyl-2-methanesulfinyl-benzamide

A

74-87-3

methylene chloride

B

2514-36-5

2-benzylbenzo[d]isothiazol-3(2H)-one

Conditions
ConditionsYield
With thionyl chloride In dichloromethane Heating;A n/a
B 98%
79054-64-1

N-Isopropyl-2-methanesulfinyl-benzamide

A

74-87-3

methylene chloride

B

2-isopropyl-1,2-benzisothiazolin-3-one

Conditions
ConditionsYield
With thionyl chloride In dichloromethane Heating;A n/a
B 97%
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Consensus Reports

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 246.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 41 ,1986,p. 161.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 41 ,1986,p. 161.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Standards and Recommendations

OSHA PEL: TWA 50 ppm; STEL 100 ppm
ACGIH TLV: TWA 50 ppm; STEL 100 ppm; Not Classifiable as a Human Carcinogen
DFG MAK: 50 ppm (100 mg/m3); Suspected Carcinogen
NIOSH REL: (Monohalomethanes) TWA Reduce to lowest level
DOT Classification:  2.1; Label: Flammable Gas

Analytical Methods

For occupational chemical analysis use NIOSH: Methyl Chloride, 1001.

Specification

The Methyl chloride, with the CAS registry number 74-87-3 and EINECS registry number 200-817-4, has the systematic of chloromethane. And the molecular formula of this chemical is CH3Cl. It is the most abundant organohalogen-anthropogenic or natural–in the atmosphere. It is a kind of colourless gas with a minorly sweet odor, and belongs to the following product categories: Refrigerants; Organics; CCosmetics; CFCsAlphabetic; Allergens; Alpha Sort; C; CH; Volatiles/ Semivolatiles; Alkyl; Halogenated Hydrocarbons; Organic Building Blocks. In addition, it should be stored at 2-8°C.

The physical properties of Methyl chloride are as following: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.113; (4)ACD/LogD (pH 7.4): 1.113; (5)ACD/BCF (pH 5.5): 4.129; (6)ACD/BCF (pH 7.4): 4.129; (7)ACD/KOC (pH 5.5): 96.046; (8)ACD/KOC (pH 7.4): 96.046; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.331; (14)Molar Refractivity: 11.531 cm3; (15)Molar Volume: 56.427 cm3; (16)Polarizability: 4.571×10-24cm3; (17)Surface Tension: 14.643 dyne/cm; (18)Density: 0.895 g/cm3; (19)Enthalpy of Vaporization: 21.902 kJ/mol; (20)Vapour Pressure: 4074.091 mmHg at 25°C.

Preparation of Methyl chloride: Large amounts of Methyl chloride are produced naturally in the oceans by the action of sunlight on biomass and chlorine in sea foam. However, all Methyl chloride that is used in industry is produced synthetically. It can be prepared by reacting methanol with hydrogen chloride:
CH3OH + HCl → CH3Cl + H2O

Uses of Methyl chloride: It was widely used as refrigerant, but due to its toxicity and flammability, its use has been discontinued. It is used as a chemical intermediate in the production of silicone polymers. It is also used as a solvent in the manufacture of butyl rubber and in petroleum refining. What's more, it also used as a methylating and chlorinating agent in organic chemistry.

You should be cautious while dealing with this chemical. It is a kind of extremely flammable chemical, and has danger of serious damage to health by prolonged exposure through inhalation. What's more, it may cause carcinogenic effect. Therefore, you had better take the following instructions: Keep container in a well-ventilated place; Keep away from sources of ignition - No smoking; Take precautionary measures against static discharges.

You can still convert the following datas into molecular structure:
(1)SMILES: CCl
(2)InChI: InChI=1/CH3Cl/c1-2/h1H3
(3)InChIKey: NEHMKBQYUWJMIP-UHFFFAOYAW

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LCLo inhalation 129mg/m3/4H (129mg/m3) BEHAVIORAL: GENERAL ANESTHETIC

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Archiv fuer Hygiene und Bakteriologie. Vol. 116, Pg. 131, 1936.
dog LCLo inhalation 14661ppm/6H (14661ppm) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
National Institutes of Health, Bulletin. Vol. 191, Pg. 1, 1949.
guinea pig LCLo inhalation 20000ppm/2H (20000ppm)   Fluorine Chemistry Reviews. Vol. 1, Pg. 197, 1967.
human LCLo inhalation 20000ppm/2H (20000ppm) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

GASTROINTESTINAL: NAUSEA OR VOMITING
"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 386, 1969.
mouse LC50 inhalation 2200ppm/6H (2200ppm)   Toxicology and Applied Pharmacology. Vol. 86, Pg. 93, 1986.
rat LC50 inhalation 5300mg/m3/4H (5300mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 82, 1982.
rat LD50 oral 1800mg/kg (1800mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 86, 1986.