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Structure

4-(Trifluoromethyl)benzylamine HydroChloride

CAS
3047-99-2
Catalog Number
ACM3047992-3
Category
Other Products
Molecular Weight
211.61 g/mol
Molecular Formula
C8H8F3N•HCl

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Specification

Synonyms
4-(Trifluoromethyl)benzylammonium Chloride; 4-Aminomethylbenzotrifluoride HydroChloride; [4-(Trifluoromethyl)phenyl]methanamine HydroChloride
IUPAC Name
[4-(trifluoromethyl)phenyl]methanamine;hydrochloride
Canonical SMILES
C1=CC(=CC=C1CN)C(F)(F)F.Cl
InChI
InChI=1S/C8H8F3N.ClH/c9-8(10,11)7-3-1-6(5-12)2-4-7;/h1-4H,5,12H2;1H
InChI Key
DDDIOEYMKVFUGK-UHFFFAOYSA-N
Melting Point
167 °C
Density
1.225g/cm³
Appearance
White to Almost white powder to crystal
Storage
Store under inert gas
Color
White to Almost White Powder to crystal
Complexity
136
Condition To Avoid
Hygroscopic
Covalently-Bonded Unit Count
2
Exact Mass
211.037562g/mol
Form
Solid
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
H-Bond Acceptor
4
H-Bond Donor
2
Heavy Atom Count
13
MDL Number
MFCD07780751
Monoisotopic Mass
211.037562g/mol
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Rotatable Bond Count
1
Signal Word
Warning
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