Introduction：Basic information about CAS 98-57-7|4-Chlorophenyl methyl sulfone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-Chlorophenyl methyl sulfone |
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| CAS Number | 98-57-7 | Molecular Weight | 190.647 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 330.2±34.0 °C at 760 mmHg |
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| Molecular Formula | C7H7ClO2S | Melting Point | 95-98 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 153.5±25.7 °C |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | 4-Chlorophenyl Methyl Sulfone |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 330.2±34.0 °C at 760 mmHg |
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| Melting Point | 95-98 °C(lit.) |
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| Molecular Formula | C7H7ClO2S |
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| Molecular Weight | 190.647 |
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| Flash Point | 153.5±25.7 °C |
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| Exact Mass | 189.985519 |
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| PSA | 42.52000 |
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| LogP | 1.05 |
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| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
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| Index of Refraction | 1.542 |
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| InChIKey | LMCOQDVJBWVNNI-UHFFFAOYSA-N |
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| SMILES | CS(=O)(=O)c1ccc(Cl)cc1 |
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| Storage condition | 2-8°C |
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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 DATAACUTE 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
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H302-H315 |
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| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
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| Hazard Codes | Xn:Harmful; |
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| Risk Phrases | R22 |
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| Safety Phrases | S26-S28-S36/37/39-S24/25 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 3 |
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| RTECS | WR5730000 |
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| HS Code | 2904909090 |
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Customs
| HS Code | 2904909090 |
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| 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% |
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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)
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| 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)
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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 |
