4-(1,3-Oxazol-2-yl)aniline

HCID 12371739

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Basic information

CAS: 62882-11-5
Standard SMILES: Nc1ccc(-c2ncco2)cc1
InChIKey: SLLOVNWUCAZDJC-UHFFFAOYSA-N
Molecular formula: C9H8N2O
Average molar mass: 160.17 g/mol
Monoisotopic mass: 160.06366288

Names & identifiers

Preferred name: 4-(1,3-Oxazol-2-yl)aniline
IUPAC: 4-(1,3-oxazol-2-yl)aniline
English name: 4-(Oxazol-2-yl)benzenamine
Molecular formula: C9H8N2O
Molecular weight: 160.17

Names & synonyms

62882-11-54-(1,3-oxazol-2-yl)anilineDTXSID90494873RefChem:286613DTXCID90445683862-502-34-(Oxazol-2-yl)aniline4-(OXAZOL-2-YL)BENZENAMINE2-(4-Aminophenyl)oxazoleMFCD110403814-(2-oxazolyl)aniline4-(Oxazol-2-yl)phenylamine

Show more names

4-(2-Oxazolyl)benzenamine2-(4-Aminophenyl)oxazole, HCl2-Pyridinamine,7-(methylsulfonyl)-

Benzenamine, 4-(2-oxazolyl)-4-oxazol-2-ylaniline4-oxazol-2-yl-phenylamineF2147-10482-(4'-Aminophenyl)-oxazoleSCHEMBL224239p-(1,3-oxazol-2-yl)anilineSLLOVNWUCAZDJC-UHFFFAOYSA-N

Database identifiers

CAS: 62882-11-5
PubChem CID: 12371739
DTXSID: DTXSID90494873
EC Number: 862-502-3

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 52.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 143

Physicochemical properties

Melting point: 121 · 121-123℃
Boiling point: 327 ℃ · 327℃
Density: 1.204 · 1.204
Flash point: 151 ℃ · 151℃
storage temp.: 2 · Sealed in dry,2-8°C
pka: 3.46 · 3.46±0.10(Predicted)
Appearance: Light yellow to brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H302-H312-H315-H332-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2934999090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H302-H312-H315-H332-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501