4-Chlorophenyl methyl sulfone
Names
[ CAS No. ]:
98-57-7
[ Name ]:
4-Chlorophenyl methyl sulfone
[Synonym ]:
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
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
MSDS
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
[ 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
Precursor & DownStream
Precursor
DownStream
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%
Articles
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)