4-Fluoro-2-(trifluoromethyl)aniline

HCID 67853
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Basic information

CAS
393-39-5
Standard SMILES
Nc1ccc(F)cc1C(F)(F)F
InChIKey
LRCQLCWUUBSUOY-UHFFFAOYSA-N
Molecular formula
C7H5F4N
Average molar mass
179.11 g/mol
Monoisotopic mass
179.03581204

Overview

4-fluoro-2-(trifluoromethyl)aniline is an organic molecular entity.

Names & identifiers

Preferred name
4-Fluoro-2-(trifluoromethyl)aniline
IUPAC
4-fluoro-2-(trifluoromethyl)aniline
English name
2-Amino-5-fluorobenzotrifluoride
Molecular formula
C7H5F4N
Molecular weight
179.11

Names & synonyms

4-Fluoro-2-(trifluoromethyl)aniline393-39-5Benzenamine, 4-fluoro-2-(trifluoromethyl)-alpha,alpha,alpha,4-Tetrafluoro-o-toluidineNSC-10325T5T8A7TV37RefChem:1070669206-886-72-Amino-5-fluorobenzotrifluorideMFCD000078314-Fluoro-2-trifluoromethyl-phenylamine4-Fluoro-2-trifluoromethylaniline
Show more names
2-Amino-5-fluorobenz4-Fluoro-2-(Trifluoromethyl)anα,α,α,4-Tetrafluoro-o-toluidine5-FLUORO-2-AMINOBENZOTRIFLUORIDE2-Amino-5-fluorobenzotrifluoride99%2-(Trifluoromethyl)-4-fluoroaniline2-Amino-5-fluorobenzotrifluoride 99%2-Amino-5-fluorobenzotrifluoride >
NSC103254-Fluoro-2-(trifluoromethyl)benzenamine4-fluoro-2-(trifluoromethyl)-anilineBP-11269EN300-682314-fluoro-2-(trifluoromethyl)phenylaminealpha,alpha,alpha-4-Tetrafluoro-o-toluidineEINECS 206-886-7

Database identifiers

CAS
393-39-5
PubChem CID
67853
DTXSID
DTXSID9022029
ChEBI
CHEBI:230764
UNII
T5T8A7TV37
EC Number
206-886-7
Nikkaji
J149.712J

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
0
Heavy atoms
12

Physicochemical properties

Boiling point
70 · 70-72 °C17.5 mm Hg(lit.)
Density
1.38 g/mL · 1.38 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.464(lit.)
Flash point
162 °F · 162 °F
storage temp.
2 · 2-8°C
pka
1.52 · 1.52±0.10(Predicted)

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)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
hs_code
29039990
risk_code
20/21/22-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07,GHS06

Chemistry & industry

Applications

Uses4-Fluoro-2-(trifluoromethyl)aniline was used in the preparation of 2-[4-(3-bromophenyl)-7-chloro-6-methyl-2-oxo-2H-chromen-3-yl]-N-[4-fluoro-2-(trifluoro-methyl)phenyl]acetamide.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Related reactions

34 records
New reaction record

Compound notes

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