4-(Trifluoromethyl)aniline HydroChloride
Catalog Number
ACM90774699-2
CAS
90774-69-9
IUPAC Name
4-(trifluoromethyl)aniline;hydrochloride
Synonyms
4-(Trifluoromethyl)anilinium Chloride; 4-Aminobenzotrifluoride HydroChloride
Molecular Weight
197.59 g/mol
Molecular Formula
C7H6F3N•HCl
Product Information
Canonical SMILES
C1=CC(=CC=C1C(F)(F)F)N.Cl
Inchi
InChI=1S/C8H14N2O3S.C2F6NO4S2/c1-9-5-6-10(8-9)4-2-3-7-14(11,12)13;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-6,8H,2-4,7H2,1H3;/q;-1/p+1
InChIKey
PXYKADKIWNXJNF-UHFFFAOYSA-O
Melting Point
202 °C
Purity
>98.0%(T)(HPLC)
Appearance
White to Light yellow powder to crystal
storage
Store under inert gas
Complexity
124
Condition To Avoid
Hygroscopic
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
12
MDL Number
MFCD00007897
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.
Reaxys Registry Number
3629991
Rotatable Bond Count
0
Signal Word
Warning
Monoisotopic Mass
197.021911g/mol
Exact Mass
197.021911g/mol
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