2-(3,5-Difluorophenyl)ethan-1-amine

HCID 3673665

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Basic information

CAS: 311346-60-8
Standard SMILES: NCCc1cc(F)cc(F)c1
InChIKey: WRPAZHKOVLYSCH-UHFFFAOYSA-N
Molecular formula: C8H9F2N
Average molar mass: 157.16 g/mol
Monoisotopic mass: 157.07030573

Names & identifiers

Preferred name: 2-(3,5-Difluorophenyl)ethan-1-amine
IUPAC: 2-(3,5-difluorophenyl)ethanamine
English name: Benzeneethanamine, 3,5-difluoro- (9CI)
Molecular formula: C8H9F2N
Molecular weight: 157.16

Names & synonyms

2-(3,5-difluorophenyl)ethan-1-amineRefChem:454721838-039-82-(3,5-difluorophenyl)ethanamine311346-60-82-(3,5-Difluorophenyl)ethylamineMFCD01529880Benzeneethanamine,3,5-difluoro-(9CI)3,5-DifluorophenethylamineSCHEMBL1014548SCHEMBL27999263DTXSID90394900

Show more names

BenzeneethanaMine, 3,5-difluoro-2-(3,5-difluorophenyl)ethanamine HCl2-(3,5-Difluorophenyl)ethylamine, 97%Benzeneethanamine, 3,5-difluoro- (9CI)2-(3,5-difluorophenyl)ethanaMine hydrochloride

WRPAZHKOVLYSCH-UHFFFAOYSA-N2-(3,5-difluoro-phenyl)-ethylamineAKOS011239956AB09183AT21562FD80681FS-5417CS-0100868

Database identifiers

CAS: 311346-60-8
PubChem CID: 3673665
DTXSID: DTXSID90394900
EC Number: 838-039-8

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 109

Physicochemical properties

Boiling point: 187 ℃ · 187℃
Density: 1.169 · 1.169
Flash point: 79 ℃ · 79℃
pka: 9.35 · 9.35±0.10(Predicted)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 314 · H314-H335
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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. 1B (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H314-H335
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501