4-Trifluoromethyl-phenylammonium chloride
Basic information
- CAS
90774-69-9- Standard SMILES
[Cl-].[NH3+]c1ccc(C(F)(F)F)cc1- InChIKey
CZGDYZDUMJDQSD-UHFFFAOYSA-N- Molecular formula
- C7H7ClF3N
- Average molar mass
- 197.58 g/mol
- Monoisotopic mass
- 197.0219114
Overview
See also: 4-(Trifluoromethyl)anilinium chloride (preferred).
Names & identifiers
- Preferred name
- 4-Trifluoromethyl-phenylammonium chloride
- IUPAC
- [4-(trifluoromethyl)phenyl]azanium chloride
- English name
- 4-Aminobenzotrifluoride hydrochloride
- Molecular formula
- C7H7ClF3N
- Molecular weight
- 197.59
Names & synonyms
4-Trifluoromethyl-phenylammonium chloride[4-(trifluoromethyl)phenyl]azanium;chlorideNS000924232-AMINOBENZOTRIFLUORIDE HYDROCHLORIDE4-(TRIFLUOROMETHYL)ANILINE HYDROCHLORIDEPiroctone Impurity 24-AMINOBENZOTRIFLUORIDE HCL4-(Trifluoromethyl)aniline Hydrochl4-(trifluoromethyl)anilinium chloridep-(Trifluoromethyl)anilinium chloride4-Aminobenzotrifluoride hydrochlorideLeflunomide Impurity A as Hydrochloride
Database identifiers
- CAS
90774-69-9- PubChem CID
- 45075644
Properties
Computed structural properties
- Topological polar surface area
- 27.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Melting point
- 200 °C · 200 °C(lit.)
- storage temp.
- Store at room temperature, keep dry and cool
- Water Solubility
- Soluble in water
- form
- powder to crystal
- color
- White to Light yellow
- Sensitive
- Hygroscopic
- BRN
- 3629991 · 3629991
- InChI
- 1S/C7H6F3N.ClH/c8-7(9,10)5-1-3-6(11)4-2-5;/h1-4H,11H2;1H
- InChIKey
- CZGDYZDUMJDQSD-UHFFFAOYSA-N
- SMILES
- Cl.Nc1ccc(cc1)C(F)(F)F
- CAS DataBase Reference
- 90774 · 90774-69-9(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-37/39
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HazardClass
- 6.1 · 6.1
- HS Code
- 29214200 · 29214200
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- 2811
- hs_code
- 29214200
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-37/39
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Applications
Uses4-(Trifluoromethyl)aniline hydrochloride is used in the synthesis of 2-(4-((6-Chloro-2-quinoxalinyl)oxy)phenoxy)-N-(4-(trifluoromethyl)phenyl)propanamide. It is also used to produce N-(p-trifluoromethylphenyl)phosphoramidic dichloride.
Uses4-Aminobenzotrifluoride hydrochloride may be used in the synthesis of 2-(4-((6-Chloro-2-quinoxalinyl)oxy)phenoxy)-N-(4-(trifluoromethyl)phenyl)propanamide.
Upstream & downstream products
Downstream products
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