4-Chlorophenyl methyl sulfone

Modify Date: 2024-01-04 07:34:51

4-Chlorophenyl methyl sulfone Structure
4-Chlorophenyl methyl sulfone structure
Common Name 4-Chlorophenyl methyl sulfone
CAS Number 98-57-7 Molecular Weight 190.647
Density 1.3±0.1 g/cm3 Boiling Point 330.2±34.0 °C at 760 mmHg
Molecular Formula C7H7ClO2S Melting Point 95-98 °C(lit.)
MSDS Chinese USA Flash Point 153.5±25.7 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 4-Chlorophenyl Methyl Sulfone
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 330.2±34.0 °C at 760 mmHg
Melting Point 95-98 °C(lit.)
Molecular Formula C7H7ClO2S
Molecular Weight 190.647
Flash Point 153.5±25.7 °C
Exact Mass 189.985519
PSA 42.52000
LogP 1.05
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.542
Storage condition 2-8°C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
WR5730000
CHEMICAL NAME :
Sulfone, p-chlorophenyl methyl
CAS REGISTRY NUMBER :
98-57-7
BEILSTEIN REFERENCE NO. :
0638281
LAST UPDATED :
199709
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C7-H7-Cl-O2-S
MOLECULAR WEIGHT :
190.65
WISWESSER LINE NOTATION :
WS1&R DG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
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 :
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 :
LD - Lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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: 12,369,1993
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
606 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 :
1400 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 :
13650 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 :
Primate - monkey
DOSE/DURATION :
280 mg/kg/14D-C
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Endocrine - changes in adrenal 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
GHS07
Signal Word Warning
Hazard Statements H302-H315
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes Xn:Harmful;
Risk Phrases R22
Safety Phrases S26-S28-S36/37/39-S24/25
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS WR5730000
HS Code 2904909090

 Synthetic Route

 Customs

HS Code 2904909090
Summary HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

 Articles3

More Articles
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...

Metabolism of 4-chlorophenyl methyl sulfide and its sulfone analog in cattle and sheep.

Arch. Environ. Contam. Toxicol. 12(2) , 227-33, (1983)

New sulfonyl-containing materials for nonlinear optics: semiempirical calculations, synthesis, and properties. Ulman A, et al.

J. Am. Chem. Soc. 112(20) , 7083-7090, (1990)

 Synonyms

4-Chlorophenyl methyl sulfone
Benzene, 1-chloro-4-(methylsulfonyl)-
1-Chloro-4-(methylsulfonyl)benzene
Benzene, 1-chloro-4- (methylsulfonyl)-
1-chloro-4-methylsulfonylbenzene
MFCD00025067
EINECS 202-682-7