CAS 39226-96-5 2-Chloro-3-(trifluoromethyl)benzylamine (HCID 5224207)

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Basic information

CAS: 39226-96-5
Standard SMILES: NCc1cccc(C(F)(F)F)c1Cl
InChIKey: GRFVQNWTQVWNBY-UHFFFAOYSA-N
Molecular formula: C8H7ClF3N
Average molar mass: 209.59 g/mol
Monoisotopic mass: 209.02191156

Names & identifiers

Preferred name: 2-Chloro-3-(trifluoromethyl)benzylamine
IUPAC: [2-chloro-3-(trifluoromethyl)phenyl]methanamine
English name: 2-Chloro-3-(trifluoromethyl)benzylamine
Molecular formula: C8H7ClF3N
Molecular weight: 209.6

Names & synonyms

2-CHLORO-3-(TRIFLUOROMETHYL)BENZYLAMINERefChem:468652679-303-039226-96-5(2-chloro-3-(trifluoromethyl)phenyl)methanamine[2-chloro-3-(trifluoromethyl)phenyl]methanamineMFCD041159901-[2-Chloro-3-(trifluoromethyl)phenyl]methanamine2-Chloro-3-(trifluoromethyl)benzyl amine{[2-chloro-3-(trifluoromethyl)phenyl]methyl}amineDS-13722SY053117

Show more names

P2X7 receptor antagonist-72-Chloro-3-(trifluoromethyl)benzylamine >Benzenemethanamine, 2-chloro-3-(trifluoromethyl)-

[(2-chloro-3-trifluoromethylphenyl)methyl]amine[2-chloro-3-(trifluoromethyl)phenyl]methylamineBenzenemethanamine, 2-chloro-3-(trifluoromethyl)-2-Chloro-3-trifluoromethyl-benzylamineAM83239FT-0724209CHEMBL274156SCHEMBL1635491

Database identifiers

CAS: 39226-96-5
PubChem CID: 5224207
DTXSID: DTXSID70411306
ChEMBL: CHEMBL274156

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 171

Physicochemical properties

Melting point: 35 · 35-38℃
Boiling point: 223 ℃ · 223℃
Density: 1.353 · 1.353
Flash point: 87 ℃ · 87℃
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
solubility: soluble in Methanol
form: powder to lump
color: White to Yellow to Orange
Sensitive: Air Sensitive
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 305 · P305+P351+P338-P309-P310-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501
Risk Statements: 36 · 36
Safety Statements: 26 · 26
RIDADR: 3259 · 3259

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1C (100%)

Safety data

ridadr: 3259
hs_code: 2921490090
risk_code: 36
Signal word: Danger
Symbol(GHS): GHS05
safety_code: 26
hazard_class: 8
packing_group: III
Hazard statements: H314-H318
Precautionary statements: P305+P351+P338-P309-P310-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501