ChemicalBook--->CAS DataBase List--->1134-94-7

1134-94-7

1134-94-7 Structure

1134-94-7 Structure
IdentificationMore
[Name]

2-(Phenylthio)aniline
[CAS]

1134-94-7
[Synonyms]

2-AMINODIPHENYL SULFIDE
2-AMINODIPHENYL SULPHIDE
2-AMINODIPHENYL THIOETHER
2-AMINOPHENYL PHENYL SULFIDE
2-(PHENYLTHIO)ANILINE
O-(PHENYLTHIO)ANILINE
2-AMINODIPHENYL SULFIDE/2-(PHENYLTHIO)ANILINE
2-(PHENYLTHIO)ANILINE 99+%
[EINECS(EC#)]

413-030-8
[Molecular Formula]

C12H11NS
[MDL Number]

MFCD00190139
[Molecular Weight]

201.29
[MOL File]

1134-94-7.mol
Chemical PropertiesBack Directory
[Melting point ]

43 °C(lit.)
[Boiling point ]

258 °C / 100mmHg
[density ]

1.19±0.1 g/cm3(Predicted)
[vapor pressure ]

0.004Pa at 25℃
[Fp ]

175 °C
[storage temp. ]

2-8°C(protect from light)
[solubility ]

soluble in Methanol
[form ]

Crystalline
[pka]

2.89±0.10(Predicted)
[color ]

gray-brown
[BRN ]

2363643
[InChI]

1S/C12H11NS/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H,13H2
[InChIKey]

DGBISJKLNVVJGD-UHFFFAOYSA-N
[SMILES]

Nc1ccccc1Sc2ccccc2
[LogP]

3.37
[CAS DataBase Reference]

1134-94-7(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi,N
[Risk Statements ]

R43:May cause sensitization by skin contact.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S24:Avoid contact with skin .
S37:Wear suitable gloves .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 3077 9/PG 3
[WGK Germany ]

2
[F ]

10-13-23
[REACH Registrations]

Active
[HazardClass ]

9
[PackingGroup ]

III
[HS Code ]

2930909899
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Chronic 2
Skin Sens. 1
Hazard InformationBack Directory
[Uses]

2-Aminodiphenyl Sulfide is a pharmacopeial impurity of Quetiapine Hemifumarate (Q510000), an antipsychotic drug.
Spectrum DetailBack Directory
[Spectrum Detail]

2-(Phenylthio)aniline(1134-94-7)MS
2-(Phenylthio)aniline(1134-94-7)1HNMR
2-(Phenylthio)aniline(1134-94-7)13CNMR
2-(Phenylthio)aniline(1134-94-7)IR1
2-(Phenylthio)aniline(1134-94-7)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

1134-94-7(sigmaaldrich)
[TCI AMERICA]

2-Aminophenyl Phenyl Sulfide,>98.0%(GC)(1134-94-7)
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