Aniline, N-(2,2,2-trifluoroethyl)-

HCID 9596CAS 351-61-1

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Basic information

Standard SMILES: FC(F)(F)CNc1ccccc1
InChIKey: IHCPNFMGAKAAKN-UHFFFAOYSA-N
Molecular formula: C8H8F3N
Average molar mass: 175.15 g/mol
Monoisotopic mass: 175.06088392

Names & identifiers

Preferred name: Aniline, N-(2,2,2-trifluoroethyl)-
IUPAC: N-(2,2,2-trifluoroethyl)aniline
English name: N-(2,2,2-trifluoroethyl)aniline
Molecular formula: C8H8F3N
Molecular weight: 175.15

Names & synonyms

N-(2,2,2-Trifluoroethyl)aniline351-61-1BRN 2716921ANILINE, N-(2,2,2-TRIFLUOROETHYL)-DTXSID801885974-12-00-00251 (Beilstein Handbook Reference)RefChem:558110DTXCID40111088818-456-1MFCD01670295N-(2,2,2-Trifluoroethyl)benzenamineBenzenamine, N-(2,2,2-trifluoroethyl)-

Show more names

N-(2,2,2-trifluoroethyl)aniline(SALTDATA: FREE)

SCHEMBL549076SCHEMBL8668819SCHEMBL9823951SCHEMBL11102819SCHEMBL15456013phenyl(2,2,2-trifluoroethyl)amineSBB077162AKOS000253301

Database identifiers

CAS: 351-61-1
PubChem CID: 9596
DTXSID: DTXSID80188597
EC Number: 818-456-1
Nikkaji: J55.234H

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 127

Physicochemical properties

Boiling point: 84 · 84-85 °C(Press: 15 Torr)
Density: 1.2327 · 1.2327 (estimate)
storage temp.: 2 · 2-8°C, protect from light
pka: 1.09 · 1.09±0.50(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H332-H319-H302-H315-H312
Precautionary statements: 280 · P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes: Xn
Risk Statements: 22 · 22
Toxicity: 250 mL/kg · LDLo ipr-mus: 250 mL/kg CBCCT* 2,184,50

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

Toxicity: LDLo ipr-mus: 250 mL/kg CBCCT* 2,184,50
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
Hazard statements: H335-H332-H319-H302-H315-H312
Precautionary statements: P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P