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CAS No.: | 13738-70-0 |
---|---|
Name: | 4-[(PHENYLSULFANYL)METHYL]ANILINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C13H13 N S |
Molecular Weight: | 215.319 |
Synonyms: | p-Toluidine,a-(phenylthio)- (6CI,7CI,8CI);4-[(Phenylsulfanyl)methyl]aniline; NSC 89479 |
Density: | 1.16g/cm3 |
Melting Point: | 73-75°C |
Boiling Point: | 378.9°Cat760mmHg |
Flash Point: | 183°C |
Safety: | A poison by ingestion and intravenous routes. When heated to decomposition it emits toxic vapors of NOx and SOx. |
PSA: | 51.32000 |
LogP: | 4.14230 |
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Empirical Formula of alpha-(Phenylthio)-p-toluidine (CAS NO.13738-70-0): C13H13NS
Molecular Weight: 215.314 g/mol
Index of Refraction: 1.656
Density: 1.16 g/cm3
Flash Point: 183 °C
Enthalpy of Vaporization: 62.69 kJ/mol
Boiling Point: 378.9 °C at 760 mmHg
Vapour Pressure: 6.07E-06 mmHg at 25 °C
Melting point: 73-75 °C
Structure of alpha-(Phenylthio)-p-toluidine (CAS NO.13738-70-0):
IUPAC Name: 4-(Phenylsulfanylmethyl)aniline
Canonical SMILES: C1=CC=C(C=C1)SCC2=CC=C(C=C2)N
InChI: InChI=1S/C13H13NS/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9H,10,14H2
InChIKey: BETHGEVRYKIURN-UHFFFAOYSA-N
1. | ivn-mus LD50:320 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#03539 . |
A poison by ingestion and intravenous routes. When heated to decomposition alpha-(Phenylthio)-p-toluidine (CAS NO.13738-70-0) emits toxic vapors of NOx and SOx.
DOT Classification: 6.1; Label: Poison
alpha-(Phenylthio)-p-toluidine , its cas register number is 13738-70-0. It also can be called Benzenamine, 4-((phenylthio)methyl)- (9CI) ; and p-Toluidine, alpha-(phenylthio)- .