Structure

4-(Trifluoromethyl)aniline HydroChloride

CAS
90774-69-9
Catalog Number
ACM90774699-2
Category
Amine Salts
Molecular Weight
197.59 g/mol
Molecular Formula
C7H6F3N•HCl

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Specification

Synonyms
4-(Trifluoromethyl)anilinium Chloride; 4-Aminobenzotrifluoride HydroChloride
IUPAC Name
4-(trifluoromethyl)aniline;hydrochloride
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
InChI Key
PXYKADKIWNXJNF-UHFFFAOYSA-O
Melting Point
202 °C
Appearance
White to Light yellow powder to crystal
Storage
Store under inert gas
Color
White to Light yellow Powder to crystal
Complexity
124
Condition To Avoid
Hygroscopic
Covalently-Bonded Unit Count
2
EC Number
292-679-7
Exact Mass
197.021911g/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
12
MDL Number
MFCD00007897
Monoisotopic Mass
197.021911g/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.
RIDADR
NONH for all modes of transport
Rotatable Bond Count
0
Signal Word
Warning
Symbol
GHS07
What is the molecular formula of 4-(Trifluoromethyl)aniline hydrochloride?

The molecular formula of 4-(Trifluoromethyl)aniline hydrochloride is C7H7ClF3N.

What is the molecular weight of 4-(Trifluoromethyl)aniline hydrochloride?

The molecular weight of 4-(Trifluoromethyl)aniline hydrochloride is 197.58 g/mol.

What is the IUPAC name of 4-(Trifluoromethyl)aniline hydrochloride?

The IUPAC name of 4-(Trifluoromethyl)aniline hydrochloride is 4-(trifluoromethyl)aniline;hydrochloride.

What is the InChI of 4-(Trifluoromethyl)aniline hydrochloride?

The InChI of 4-(Trifluoromethyl)aniline hydrochloride is InChI=1S/C7H6F3N.ClH/c8-7(9,10)5-1-3-6(11)4-2-5;/h1-4H,11H2;1H.

What is the InChIKey of 4-(Trifluoromethyl)aniline hydrochloride?

The InChIKey of 4-(Trifluoromethyl)aniline hydrochloride is CZGDYZDUMJDQSD-UHFFFAOYSA-N.

What is the canonical SMILES of 4-(Trifluoromethyl)aniline hydrochloride?

The canonical SMILES of 4-(Trifluoromethyl)aniline hydrochloride is C1=CC(=CC=C1C(F)(F)F)N.Cl.

What is the CAS number of 4-(Trifluoromethyl)aniline hydrochloride?

The CAS number of 4-(Trifluoromethyl)aniline hydrochloride is 90774-69-9.

What is the European Community (EC) number of 4-(Trifluoromethyl)aniline hydrochloride?

The European Community (EC) number of 4-(Trifluoromethyl)aniline hydrochloride is 292-679-7.

What is the hydrogen bond donor count of 4-(Trifluoromethyl)aniline hydrochloride?

The hydrogen bond donor count of 4-(Trifluoromethyl)aniline hydrochloride is 2.

What is the hydrogen bond acceptor count of 4-(Trifluoromethyl)aniline hydrochloride?

The hydrogen bond acceptor count of 4-(Trifluoromethyl)aniline hydrochloride is 4.

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