CAS 41373-37-9 2-Phenyl-1,3-benzoxazol-5-amine (HCID 721059)

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Basic information

CAS: 41373-37-9
Standard SMILES: Nc1ccc2oc(-c3ccccc3)nc2c1
InChIKey: SUOXXPHZWVBJSY-UHFFFAOYSA-N
Molecular formula: C13H10N2O
Average molar mass: 210.23 g/mol
Monoisotopic mass: 210.07931294

Names & identifiers

Preferred name: 2-Phenyl-1,3-benzoxazol-5-amine
IUPAC: 2-phenyl-1,3-benzoxazol-5-amine
English name: 2-Phenyl-benzooxazol-5-ylamine
Molecular formula: C13H10N2O
Molecular weight: 210.23

Names & synonyms

2-phenyl-1,3-benzoxazol-5-amine41373-37-9DTXSID50352203RefChem:477976DTXCID80303268657-274-52-phenylbenzo[d]oxazol-5-amine2-Phenyl-benzooxazol-5-ylamine2-phenylbenzooxazol-5-ylamineMFCD004530442-phenyl-5-aminobenzoxazoleTimTec1_001042

Show more names

AKOS BB-8034ASISCHEM T31022CHEMBRDG-BB 5546320LABOTEST-BB LT00133895UKRORGSYN-BB BBV-0688315-Benzoxazolamine, 2-phenyl-2-phenyl-1,3-benzoxazol-5-amine(SALTDATA: FREE)

Oprea1_051252Oprea1_6062772-phenylbenzoxazole-5-ylamineCHEMBL470921SCHEMBL2244861SCHEMBL23045343SCHEMBL30621734SUOXXPHZWVBJSY-UHFFFAOYSA-N

Database identifiers

CAS: 41373-37-9
PubChem CID: 721059
DTXSID: DTXSID50352203
ChEMBL: CHEMBL470921
EC Number: 657-274-5
Nikkaji: J358.198E

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 52.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 240

Physicochemical properties

Melting point: 150.5 · 150.5-153 °C
Boiling point: 368.6 · 368.6±15.0 °C(Predicted)
Density: 1.257 · 1.257±0.06 g/cm3(Predicted)
pka: 6.95 · 6.95±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H302
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P