4-Trifluoroacetamidoaniline

HCID 675087

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 53446-90-5
Standard SMILES: Nc1ccc(NC(=O)C(F)(F)F)cc1
InChIKey: DEXJVEPWTWVUNM-UHFFFAOYSA-N
Molecular formula: C8H7F3N2O
Average molar mass: 204.15 g/mol
Monoisotopic mass: 204.0510475

Overview

structure in first source

Names & identifiers

Preferred name: 4-Trifluoroacetamidoaniline
IUPAC: N-(4-aminophenyl)-2,2,2-trifluoroacetamide
English name: 4-Trifluoroacetyl-p-phenylenediaMine
Molecular formula: C8H7F3N2O
Molecular weight: 204.15

Names & synonyms

4-Trifluoroacetamidoaniline53446-90-5DTXSID20350175p-trifluoroacetamidoanilineRefChem:100556DTXCID40301245622-164-8N-(4-aminophenyl)-2,2,2-trifluoroacetamide4-(trifluoroacetamido)anilineN-(4-Aminophenyl)trifluoroacetamideMFCD001329784-Trifluoroacetyl-p-phenylenediamine

Show more names

TFAN2,2,2-Trifluoro-N-(4-aMinophenyl)acetaMideAcetaMide, N-(4-aMinophenyl)-2,2,2-trifluoro-N-(4-Aminophenyl)-2,2,2-trifluoroacetamide, N1-(Trifluoroacetyl)benzene-1,4-diamineN-(4-Aminophenyl)-2,2,2-trifluoroacetamide, 4-[(Trifluoroacetyl)amino]aniline, N1-(Trifluoroacetyl)benzene-1,4-diamine

N-(4-Aminophenyl)-2,2,2-trifluoro-acetamide4-trifluoroacetylaminoanilineSCHEMBL3454327AKOS002364355ST053470DB-052335F009437

Database identifiers

CAS: 53446-90-5
PubChem CID: 675087
DTXSID: DTXSID20350175
EC Number: 622-164-8

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 209

Physicochemical properties

Melting point: 118 °C · 118 °C
storage temp.: 20 °C · −20°C
solubility: Diethyl Ether, Ethanol, Ethyl Acetate
form: Crystalline Powder
color: Yellow to brown
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HS Code: 29215119 · 29215119

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
hs_code: 29215119
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications · 2 items

Uses4-Trifluoroacetyl-p-phenylenediaMine reacts with reducing oligosaccharides in the presence of sodium cyanoborohydride to give aminoalditol derivatives, useful for linking to proteins or solid matrices. Treated this way, reducing oligosaccharides were easily separated by HPLC

UsesTFAN reacts with reducing oligosaccharides in the presence of sodium cyanoborohydride to give aminoalditol derivatives, useful for linking to proteins or solid matrices. Treated this way, reducing oligosaccharides were easily separated by HPLC.