CAS 82360-94-9 3-(3-(Trifluoromethyl)phenyl)-1,2-oxazol-5-amine (HCID 13035544)

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Basic information

CAS: 82360-94-9
Standard SMILES: Nc1cc(-c2cccc(C(F)(F)F)c2)no1
InChIKey: RSEUZDISEUUYML-UHFFFAOYSA-N
Molecular formula: C10H7F3N2O
Average molar mass: 228.17 g/mol
Monoisotopic mass: 228.0510475

Names & identifiers

Preferred name: 3-(3-(Trifluoromethyl)phenyl)-1,2-oxazol-5-amine
IUPAC: 3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
English name: 3-(3-Trifluoromethyl-phenyl)-isoxazol-5-ylamine
Molecular formula: C10H7F3N2O
Molecular weight: 228.17

Names & synonyms

82360-94-93-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amineDTXSID605159683-(3-(Trifluoromethyl)phenyl)-1,2-oxazol-5-amineRefChem:274076DTXCID70466775848-423-75-Amino-3-[3-(trifluoromethyl)phenyl]isoxazole3-(3-(Trifluoromethyl)phenyl)isoxazol-5-amine3-[3-(Trifluoromethyl)phenyl]-5-isoxazolylamineMFCD077870593-(3-trifluoromethyl-phenyl)-isoxazol-5-ylamine

Show more names

3-[3-(Trifluoromethyl)phenyl]isoxazol-5-amine, 3-[3-(Trifluoromethyl)phenyl]-1,2-oxazol-5-amine

3-[3-(Trifluoromethyl)phenyl]isoxazol-5-amine5-amino-3-(3-(trifluoromethyl)phenyl)isoxazole5-Isoxazolamine, 3-[3-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]-5-IsoxazolamineSCHEMBL2318106SBB097256AKOS000262045DA-0841

Database identifiers

CAS: 82360-94-9
PubChem CID: 13035544
DTXSID: DTXSID60515968
EC Number: 848-423-7

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 52.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 247

Physicochemical properties

Melting point: 91 · 91-93°C
Boiling point: 371.1 · 371.1±42.0 °C(Predicted)
Density: 1.37 · 1.370±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: -1.89 · -1.89±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xi,T
Risk Statements: 25 · 25
Safety Statements: 45 · 45
HazardClass: IRRITANT
HS Code: 2934999090 · 2934999090

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, 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.