Introduction:Basic information about CAS 3405-88-7|(4-chlorophenylthio)acetic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (4-chlorophenylthio)acetic acid |
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| CAS Number | 3405-88-7 | Molecular Weight | 202.65800 |
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| Density | 1.41g/cm3 | Boiling Point | 348.4ºC at 760mmHg |
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| Molecular Formula | C8H7ClO2S | Melting Point | 104-107 °C(lit.) |
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| MSDS | / | Flash Point | 164.5ºC |
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Names
| Name | 2-(4-chlorophenyl)sulfanylacetic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.41g/cm3 |
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| Boiling Point | 348.4ºC at 760mmHg |
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| Melting Point | 104-107 °C(lit.) |
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| Molecular Formula | C8H7ClO2S |
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| Molecular Weight | 202.65800 |
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| Flash Point | 164.5ºC |
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| Exact Mass | 201.98600 |
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| PSA | 62.60000 |
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| LogP | 2.51670 |
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| InChIKey | YPKLXLYGMAWXDO-UHFFFAOYSA-N |
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| SMILES | O=C(O)CSc1ccc(Cl)cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AG1075000
- CHEMICAL NAME :
- Acetic acid, ((p-chlorophenyl)thio)-
- CAS REGISTRY NUMBER :
- 3405-88-7
- BEILSTEIN REFERENCE NO. :
- 1871569
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C8-H7-Cl-O2-S
- MOLECULAR WEIGHT :
- 202.66
- WISWESSER LINE NOTATION :
- QV1SR DG
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- REFERENCE :
- 85GLAQ "A Survey of Antimalarial Drugs, 1941-1945," Wiselogle, F.Y., 2 vols., Ann Arbor, MI, J.W. Edwards, 1946 Volume(issue)/page/year: 1,237,1946
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- >400 mg/kg
- TOXIC EFFECTS :
- Behavioral - sleep Gastrointestinal - hypermotility, diarrhea Gastrointestinal - nausea or vomiting
- REFERENCE :
- 85GLAQ "A Survey of Antimalarial Drugs, 1941-1945," Wiselogle, F.Y., 2 vols., Ann Arbor, MI, J.W. Edwards, 1946 Volume(issue)/page/year: 1,237,1946 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 1500 mg/kg/5D-I
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Related to Chronic Data - death
- REFERENCE :
- 85GLAQ "A Survey of Antimalarial Drugs, 1941-1945," Wiselogle, F.Y., 2 vols., Ann Arbor, MI, J.W. Edwards, 1946 Volume(issue)/page/year: 1,237,1946
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Safety Information
| Hazard Codes | Xi: Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S36 |
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| WGK Germany | 3 |
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| RTECS | AG1075000 |
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Synonyms
| 2-((4-Chlorophenyl)thio)acetic acid |
| (4-CHLORO-PHENYLSULFANYL)-ACETIC ACID |
| (4-Chlorophenylthio)acetic acid |
| p-Chlorophenylmercaptoacetic acid |
| MFCD00021762 |