ChemicalBook--->CAS DataBase List--->486415-37-6

486415-37-6

486415-37-6 Structure

486415-37-6 Structure
IdentificationBack Directory
[Name]

4-(TERT-BUTOXYCARBONYL)PHENYL ISOTHIOCYANATE
[CAS]

486415-37-6
[Synonyms]

ert-butyl4-isothiocyanatobenzoate
TERT-BUTYL 4-ISOTHIOCYANATOBENZOATE
4-(TERT-BUTOXYCARBONYL)PHENYL ISOTHIOCYANATE
4-isothiocyanato-benzoic acid tert-butyl ester
tert-Butyl 4-isothiocyanatobenzoate >=97.0% (HPLC)
Benzoic acid, 4-isothiocyanato-, 1,1-dimethylethyl ester
[Molecular Formula]

C12H13NO2S
[MDL Number]

MFCD03453226
[MOL File]

486415-37-6.mol
[Molecular Weight]

235.3
Chemical PropertiesBack Directory
[InChI]

1S/C12H13NO2S/c1-12(2,3)15-11(14)9-4-6-10(7-5-9)13-8-16/h4-7H,1-3H3
[InChIKey]

LXVVKZRNRVNESX-UHFFFAOYSA-N
[SMILES]

CC(C)(C)OC(=O)c1ccc(cc1)N=C=S
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

20/21/22-32-42
[Safety Statements ]

22-36/37-45
[WGK Germany ]

3
[F ]

10-21
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Resp. Sens. 1
Skin Sens. 1
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