CAS 16441-25-1 2-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile (HCID 223844)

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Basic information

CAS: 16441-25-1
Standard SMILES: N#CCc1csc(-c2ccccc2)n1
InChIKey: KUEZREUCXWHVPK-UHFFFAOYSA-N
Molecular formula: C11H8N2S
Average molar mass: 200.26 g/mol
Monoisotopic mass: 200.04081926

Names & identifiers

Preferred name: 2-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile
IUPAC: 2-(2-phenyl-1,3-thiazol-4-yl)acetonitrile
English name: (2-Phenyl-1,3-thiazol-4-yl)acetonitrile
Molecular formula: C11H8N2S
Molecular weight: 200.26

Names & synonyms

2-(2-phenyl-1,3-thiazol-4-yl)acetonitrileRefChem:454382999-073-816441-25-1(2-phenyl-1,3-thiazol-4-yl)acetonitrile2-(2-Phenylthiazol-4-yl)acetonitrile4-Thiazoleacetonitrile, 2-phenyl-NSC11896MFCD007267914-cyanomethyl-2-phenylthiazoleSCHEMBL2226447DTXSID90936945

Show more names

KUEZREUCXWHVPK-UHFFFAOYSA-NHMS1725E09RAA44125NSC-11896(2-phenyl-thiazol-4-yl)-acetonitrileAKOS0001168322-(2-Phenylthiazol-4-yl)acetonitrile, 97%EN300-09278

Database identifiers

CAS: 16441-25-1
PubChem CID: 223844
DTXSID: DTXSID90936945
EC Number: 999-073-8
Nikkaji: J2.397.887C

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 64.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 227

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501