CAS 62039-92-3 Benzenemethanamine, 4-chloro-3-(trifluoromethyl)- (HCID 485440)

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Basic information

CAS: 62039-92-3
Standard SMILES: NCc1ccc(Cl)c(C(F)(F)F)c1
InChIKey: SRHQOQMNBVOXCF-UHFFFAOYSA-N
Molecular formula: C8H7ClF3N
Average molar mass: 209.59 g/mol
Monoisotopic mass: 209.02191156

Names & identifiers

Preferred name: Benzenemethanamine, 4-chloro-3-(trifluoromethyl)-
IUPAC: [4-chloro-3-(trifluoromethyl)phenyl]methanamine
English name: 4-Chloro-3-(trifluoromethyl)benzylamine
Molecular formula: C8H7ClF3N
Molecular weight: 209.6

Names & synonyms

62039-92-34-Chloro-3-(trifluoromethyl)benzylamineBenzenemethanamine, 4-chloro-3-(trifluoromethyl)-DTXSID70211101RefChem:563288DTXCID30133592623-553-5(4-Chloro-3-(trifluoromethyl)phenyl)methanamine[4-chloro-3-(trifluoromethyl)phenyl]methanamine4-chloro-3-(trifluoromethyl)benzyl amineMFCD001901241-[4-chloro-3-(trifluoromethyl)phenyl]methanamine

Show more names

RARECHEM AL BW 07914-Chloro-3-(trifluoromethyl)benzylamine98%4-Chloro-3-(trifluoromethyl)benzylamine 98%1-[4-Chloro-3-(trifluoromethyl)phenyl]methan4-Chloro-3-(trifluoromethyl)benzylamine, 97+%4-Chloro-3-(trifluoromethyl)-benzenemethanamineBenzenemethanamine,4-chloro-3-(trifluoromethyl)

EN300-3103593-trifluoromethyl-4-chlorobenzyl amine[4-chloro-3-(trifluoromethyl)phenyl]methylamineSCHEMBL39753SCHEMBL42322CHEMBL1178097BDBM6261364-chloro-3-trifluoromethylbenzylamine

Database identifiers

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

Boiling point: 100 · 100-104°C 12mm
Density: 1.379 g/mL · 1.379 g/mL at 25 °C
refractive index: 20 · n 20/D 1.495
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
form: liquid
pka: 8.48 · 8.48±0.10(Predicted)
color: Colourless
Sensitive: Air Sensitive
BRN: 2970538 · 2970538
InChI: 1S/C8H7ClF3N/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H,4,13H2
InChIKey: SRHQOQMNBVOXCF-UHFFFAOYSA-N
SMILES: NCc1ccc(Cl)c(c1)C(F)(F)F
CAS DataBase Reference: 62039 · 62039-92-3(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (86.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (86.7%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 2810 6.1/PG 3
hs_code: 2921490090
risk_code: 25-36/38-43
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: T,C
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
Hazard statements: H301-H315-H317-H319
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1