ChemicalBook--->CAS DataBase List--->883-93-2

883-93-2

883-93-2 Structure

883-93-2 Structure
IdentificationMore
[Name]

2-Phenylbenzothiazole
[CAS]

883-93-2
[Synonyms]

2-PHENYLBENZOTHIAZOLE
TIMTEC-BB SBB008076
2-Phenyl-1,3-benzothiazole
2-phenyl-benzothiazol
2-PHENYLBENZOTHIAZOLE SUBLIMED &
Benzothiazole, 2-phenyl-(6CI,7CI,8CI,9CI)
Benzothiazole, 2-phenyl-
[EINECS(EC#)]

212-935-3
[Molecular Formula]

C13H9NS
[MDL Number]

MFCD00005777
[Molecular Weight]

211.28
[MOL File]

883-93-2.mol
Chemical PropertiesBack Directory
[Appearance]

grey needle-like crystals
[Melting point ]

111-113 °C (lit.)
[Boiling point ]

371 °C
[density ]

1.1424 (rough estimate)
[refractive index ]

1.5700 (estimate)
[Fp ]

371°C
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

Acetonitrile (Slightly), DMSO (Slightly)
[form ]

Solid
[pka]

0.80±0.10(Predicted)
[color ]

White to Off-White
[Water Solubility ]

INSOLUBLE
[BRN ]

141340
[InChI]

1S/C13H9NS/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H
[InChIKey]

XBHOUXSGHYZCNH-UHFFFAOYSA-N
[SMILES]

c1ccc(cc1)-c2nc3ccccc3s2
[CAS DataBase Reference]

883-93-2(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzothiazole, 2-phenyl-(883-93-2)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[RTECS ]

DL5990000
[HS Code ]

29342080
[Storage Class]

11 - Combustible Solids
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Phenylbenzothiazole(883-93-2).msds
Hazard InformationBack Directory
[Chemical Properties]

grey needle-like crystals
[Uses]

2-Phenylbenzothiazole is an organic compound that was detected in water and sediment from sedimentation ponds as a contaminant.
[Application]

2-Phenylbenzothiazole has occasionally been used as a fixative in woody-rosy Geranium type fragrances, etc., and it has been known for about half a century in the perfume laboratory. It was among the first sulfur compounds to be honored with a space on the perfumer's shelf.
[Preparation]

2-Phenylbenzothiazole's preparation method is as follows:1) from orrho-Aminothiophenol and Benzoyl chloride. 2) from Benzylaniline plus Sulfur.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Phenylbenzothiazole(883-93-2)1HNMR
2-Phenylbenzothiazole(883-93-2)IR1
2-Phenylbenzothiazole(883-93-2)IR2
2-Phenylbenzothiazole(883-93-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Phenylbenzothiazole, 97%(883-93-2)
[Alfa Aesar]

2-Phenylbenzothiazole, 97%(883-93-2)
[Sigma Aldrich]

883-93-2(sigmaaldrich)
[TCI AMERICA]

2-Phenylbenzothiazole,>97.0%(GC)(883-93-2)
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