N-Methyl-4-(trifluoromethyl)aniline

HCID 15099755CAS 22864-65-9
Substructure searchFind similar structures

Basic information

Standard SMILES
CNc1ccc(C(F)(F)F)cc1
InChIKey
UTUYWZJPVLDHJJ-UHFFFAOYSA-N
Molecular formula
C8H8F3N
Average molar mass
175.15 g/mol
Monoisotopic mass
175.06088392

Names & identifiers

Preferred name
N-Methyl-4-(trifluoromethyl)aniline
IUPAC
N-methyl-4-(trifluoromethyl)aniline
English name
4-Trifluoromethyl-N-methylaniline 97
Molecular formula
C8H8F3N
Molecular weight
175.15

Names & synonyms

N-methyl-4-(trifluoromethyl)aniline22864-65-9DTXSID30568183RefChem:364477DTXCID40518957626-543-94-(Trifluoromethyl)-N-methylanilineMFCD07369717BENZENAMINE, N-METHYL-4-(TRIFLUOROMETHYL)-N-Methyl-4-trifluoromethylaniline4-TRIFLUOROMETHYL-N-METHYLANILINE 97METHYL-(4-TRIFLUOROMETHYL-PHENYL)-AMINE
Show more names
Fluoxetine impurity FXT4-(Trifluoromethyl)-N<Fluoxetine impurity FXT-VN-Methyl-4-(trifluoromethyl)4-(Methylamino)benzotrifluorideN-Methyl-p-trifluoromethylaniline4-(Methylamino)benzotrifluoride 98%4-Trifluoromethyl-N-methylaniline 974-(Trifluoromethyl)-N-methylaniline 97%N-Methyl-4-(trifluoromethyl)-benzenamine
CS-M1968N-methyl-p-(trifluoromethyl)anilineAKOS000256655F8883-1311methyl[4-(trifluoromethyl)phenyl]amineSCHEMBL130264SCHEMBL1547498SCHEMBL1776928

Database identifiers

CAS
22864-65-9
PubChem CID
15099755
DTXSID
DTXSID30568183
EC Number
626-543-9
Nikkaji
J1.052.980H

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
12 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Boiling point
105 · 105-106 °C/20 mmHg (lit.)
Density
1.2394 g/mL · 1.2394 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.4888(lit.)
Flash point
210 °F · 210 °F
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
form
clear liquid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 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 CategoriesAcute Tox. 4 (97.7%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
hs_code
2921430090
risk_code
22-43
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 1 item

Uses4-(Trifluoromethyl)-N-methylaniline is used in the synthesis of Tasquinimod (T007820), an orally active antiangiogenic agent which may inhibit HDAC4 signalling. This affects cancer cell survival thus making this compound and anti-cancer agent.

Upstream & downstream products

Downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Changzhou Jiuwu Chemical co., Ltd.+86-0519-85121086 · [email protected]

Related reactions

12 records
New reaction record

Linked notes

Loading…