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| CAS No.: | 94-76-8 |
|---|---|
| Name: | [(4-chloro-2-methylphenyl)thio]acetic acid |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C9H9 Cl O2 S |
| Molecular Weight: | 216.688 |
| Synonyms: | Aceticacid, [(4-chloro-2-methylphenyl)thio]- (9CI); Acetic acid,[(4-chloro-o-tolyl)thio]- (6CI,7CI,8CI); (4-Chloro-o-tolylmercapto)acetic acid;Red 3B Acid; [(4-Chloro-o-tolyl)thio]acetic acid |
| Density: | 1.36g/cm3 |
| Boiling Point: | 349.4°Cat760mmHg |
| Flash Point: | 165.1°C |
| Safety: | Poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of SOx and Cl−. |
| PSA: | 62.60000 |
| LogP: | 2.82510 |
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Chemistry
IUPAC Name: 2-(4-Chloro-2-methylphenyl)sulfanylacetic acid
Following is the structure of Chlorotolylthioglycolic acid (CAS NO.94-76-8):
Empirical Formula: C9H9ClO2S
Molecular Weight: 216.6846 g/mol
EINECS: 202-362-7
Density: 1.36 g/cm3
Flash Point: 165.1 °C
Index of Refraction: 1.61
Surface Tension: 55.5 dyne/cm
Enthalpy of Vaporization: 62.67 kJ/mol
Boiling Point: 349.4 °C at 760 mmHg
Vapour Pressure of Chlorotolylthioglycolic acid (CAS NO.94-76-8): 1.77E-05 mmHg at 25 °C
Canonical SMILES: CC1=C(C=CC(=C1)Cl)SCC(=O)O
InChI: InChI=1S/C9H9ClO2S/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKey: GREQGIILILTWOH-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | ipr-mus LD50:150 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD691-490 . |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by intraperitoneal route. When heated to decomposition, Chlorotolylthioglycolic acid (CAS NO.94-76-8) emits toxic vapors of SOx and Cl−.
Specification
Chlorotolylthioglycolic acid , its cas register number is 94-76-8. It also can be called ((4-Chloro-o-tolyl)thio)acetic acid ; (4-Chloro-2-methylbenzenemercapto)acetic acid ; (4-Chloro-o-tolylmercapto)acetic acid ; 4-Chloro-2-methylphenylthioglycolic acid ; Acetic acid, ((4-chloro-2-methylphenyl)thio)- ; Acetic acid, ((4-chloro-o-tolyl)thio)- ; Acetic acid, 2-((4-chloro-2-methylphenyl)thio)- ; and 4-Chloro-o-tolylthioacetic acid .