3,4-Bis(trifluoromethyl)aniline

HCID 1548579CAS 2965-07-3

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Basic information

Standard SMILES: Nc1ccc(C(F)(F)F)c(C(F)(F)F)c1
InChIKey: PSDVFXQQNBDDJC-UHFFFAOYSA-N
Molecular formula: C8H5F6N
Average molar mass: 229.12 g/mol
Monoisotopic mass: 229.03261848

Names & identifiers

Preferred name: 3,4-Bis(trifluoromethyl)aniline
IUPAC: 3,4-bis(trifluoromethyl)aniline
English name: 3,4-Bis-trifluoromethyl-phenylamine
Molecular formula: C8H5F6N
Molecular weight: 229.12

Names & synonyms

3,4-bis(trifluoromethyl)aniline2965-07-3DTXSID30364283RefChem:270723DTXCID60315329MFCD01312619Benzenamine, 3,4-bis(trifluoromethyl)-Enamine_0042853,4-bistrifluoromethylanilineSCHEMBL8278843,4-bistrifluoromethyl-anilineSCHEMBL29420085

Show more names

3,4-Bis-trifluoromethyl-phenylamine1-Amino-3,4-bis(trifluoromethyl)benzene

HMS1406C173,4-bis(trifluoromethyl)phenylamine3,4-DITRIFLUOROMETHYLANILINESBB097407AKOS001073822PS-7735SB772034-Amino-1,2-di(trifluoromethyl)benzene

Database identifiers

CAS: 2965-07-3
PubChem CID: 1548579
DTXSID: DTXSID30364283
EC Number: 674-913-3

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 220

Physicochemical properties

Boiling point: 74 °C · 74 °C(Press: 0.9 Torr)
Density: 1.443 · 1.443±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 1.54 · 1.54±0.10(Predicted)
form: liquid
color: Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2921420090 · 2921420090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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.