4-Chlorophenyl methyl sulfide

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Names

[ CAS No. ]:
123-09-1

[ Name ]:
4-Chlorophenyl methyl sulfide

[Synonym ]:
Benzene, 1-chloro-4- (methylthio)-
1-chloro-4-methylsulfanylbenzene
1-Chloro-4-(methylthio)benzene
Methyl 4-chlorophenyl sulfide
MFCD00013643
1-Chloro-4-(methylsulfanyl)benzene
Benzene, 1-chloro-4-(methylthio)-
EINECS 204-600-5
4-Chlorophenyl methyl sulfide

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
222.4±23.0 °C at 760 mmHg

[ Molecular Formula ]:
C₇H₇ClS

[ Molecular Weight ]:
158.648

[ Flash Point ]:
90.0±19.8 °C

[ Exact Mass ]:
157.995697

[ PSA ]:
25.30000

[ LogP ]:
3.73

[ Vapour Pressure ]:
0.2±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.588

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: WQ3840000

CHEMICAL NAME :: Sulfide, p-chlorophenyl methyl

CAS REGISTRY NUMBER :: 123-09-1

BEILSTEIN REFERENCE NO. :: 2041509

LAST UPDATED :: 199701

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C7-H7-Cl-S

MOLECULAR WEIGHT :: 158.65

WISWESSER LINE NOTATION :: GR DS1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD-A082-824 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 400 mg/kg

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Behavioral - food intake (animal) Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 1000(Sp Iss 1),32,1980

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 5630 mg/kg

TOXIC EFFECTS :: Behavioral - general anesthetic Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD-A082-824

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 672 mg/kg

TOXIC EFFECTS :: Behavioral - general anesthetic Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD-A082-824 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1050 mg/kg/28D-C

TOXIC EFFECTS :: Behavioral - food intake (animal) Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD-A082-824

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3413 mg/kg/91D-C

TOXIC EFFECTS :: Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight Blood - normocytic anemia

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD-A082-824

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 27300 mg/kg/91D-C

TOXIC EFFECTS :: Behavioral - food intake (animal) Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD-A082-824

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 15120 mg/kg/28D-C

TOXIC EFFECTS :: Liver - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death

REFERENCE :: JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 12,377,1993

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Primate - monkey

DOSE/DURATION :: 280 mg/kg/14D-C

TOXIC EFFECTS :: Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight Related to Chronic Data - death

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD-A082-824

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S23-S26-S36/37/39

[ RIDADR ]:
2810

[ WGK Germany ]:
3

[ RTECS ]:
WQ3840000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

4-Chlorothiophenol
Dimethyl sulfate
Benzene,1-chloro-4-(methylsulfinyl)-
Benzenesulfonamide,N-[(4-chlorophenyl)methyl-l4-sulfanylidene]-4-methyl-
methyl iodide
bis(4-chlorophenyl) disulfide
Dimethyl Carbonate
4-Bromochlorobenzene
Dimethyl disulfide
1-Chloro-4-iodobenzene

DownStream

4-(Trifluoromethylthio)chlorobenzene
(4-chlorophenylthio)acetic acid
4-(TRIFLUOROMETHYLSULFONYL)CHLOBENZENE
benzenedithiol
4-TRIMETHYLSILYL-THIOANISOLE
S-METHYL-S-(4-CHLOROPHENYL) SULFOXIMINE
Thioanisole
p-diisopropenylbenzene
methyl(4-(prop-1-en-2-yl)phenyl)sulfane

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles

Analysis of chlorophenylmethylsulfides in the urine of rats injected with chlorobenzene by high performance liquid chromatography.

Ind. Health 23(4) , 283-7, (1985)

HPLC analysis of 4-chlorophenyl methyl sulphide and diphenyl sulphide and their corresponding sulphoxides and sulphones in rat liver microsomes.

J. Pharm. Biomed. Anal. 27(1-2) , 315-25, (2002)

Simple high performance liquid chromatography (HPLC) methods for the analysis of 4-chlorophenyl methyl sulphide (CPMS), diphenyl sulphide (DPS) and their corresponding sulphoxide and sulphone metaboli...

Involvement of cytochrome P450 and the flavin-containing monooxygenase(s) in the sulphoxidation of simple sulphides in human liver microsomes.

Life Sci. 73(3) , 359-69, (2003)

This study was conducted to examine the involvement of cytochrome P450 (CYP450) and the flavin-containing monooxygenase (FMO) in the sulphoxidation of ethyl methyl sulphide (EMS), 4-chlorophenyl methy...

(4-chlorophenyl)methyl diethyl phosphate
(4-chlorophenyl)methyl-(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)azanium,chloride
(4-chlorophenyl)methyl N,N-dimethylcarbamate
(4-chlorophenyl)methyl 4-methoxybenzoate
(4-chlorophenyl)methyl-[10-[dodecyl(dimethyl)azaniumyl]decyl]-dimethylazanium,dibromide
(4-chlorophenyl)methyl-tripentylazanium,bromide