CAS 404-70-6 2-(3-Fluorophenyl)ethanamine (HCID 533928)

Names & identifiers

Preferred name: 2-(3-Fluorophenyl)ethanamine
IUPAC: 2-(3-fluorophenyl)ethanamine
English name: 3-Fluorophenethylamine
Molecular formula: C8H10FN
Molecular weight: 139.17

Names & synonyms

2-(3-Fluorophenyl)ethanamineRefChem:455572628-207-73-Fluorophenethylamine404-70-62-(3-fluorophenyl)ethylamine2-(3-Fluoro-phenyl)-ethylamine2-(3-fluorophenyl)ethan-1-amineMFCD00075376CHEMBL446238benzeneethanamine, 3-fluoro-m-Fluorophenethylamine

Show more names

RARECHEM AL BW 02083-Fluoro-benzeneethanaMine3-Fluorophenethylamine ,99%2-(3-Fluorophenyl)ethylamine>3-FluorophenethylaMine, 99% 5GR3-FluorophenethylaMine, 99% 25GR1-Amino-2-(3-fluorophenyl)ethane

3-flourophenethylaminem-fluorophenylethylamine3-fluoro phenethylamine3-fluoro-phenethylamine3-fluorophenethyl amine3-fluorophenethyl-amine3-fluorophenylethylamine3-fluoro-phenethyl amine

Database identifiers

CAS: 404-70-6
PubChem CID: 533928
DTXSID: DTXSID50336462
ChEMBL: CHEMBL446238
EC Number: 628-207-7
Nikkaji: J545.483B

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 95.3

Physicochemical properties

Boiling point: 87 °C/15 · 87 °C/15 mmHg (lit.)
Density: 1.066 g/mL · 1.066 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.509(lit.)
Flash point: 181 °F · 181 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 9.65 · 9.65±0.10(Predicted)
form: Liquid
Specific Gravity: 1.066 · 1.066
color: Clear colorless to pale yellow
Sensitive: Air Sensitive
InChI: 1S/C8H10FN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4-5,10H2
InChIKey: AUCVZEYHEFAWHO-UHFFFAOYSA-N
SMILES: NCCc1cccc(F)c1
CAS DataBase Reference: 404 · 404-70-6(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 227 · H227-H318-H314
Precautionary statements: 210 e-P260h-P303+P361+P353-P405-P501a-P280-P305+P351+P338-P310 · P210e-P260h-P303+P361+P353-P405-P501a-P280-P305+P351+P338-P310
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-27-36/37/39-45
RIDADR: 2735 · UN 2735 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Corrosive
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29214990 · 29214990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H290 (11.1%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 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 CategoriesSkin Corr. 1B (100%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 2735 8/PG 2
hs_code: 29214990
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive
safety_code: 26-27-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H227-H318-H314
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P210e-P260h-P303+P361+P353-P405-P501a-P280-P305+P351+P338-P310

Chemistry & industry

Applications · 1 item

Uses3-Fluorophenethylamine may be used in the synthesis of:N-(3-florophenyl)ethylcaffeamide and its anti-inflammatory activity was evaluatedN-{2-[(3-fluorophenyl)ethyl]}-2-methylpropanamideN-(3′-fluorophenyl)ethyl-4-azahexacyclo[5.4.1.02,6.03,10.05,9.08,11]dodecan-3-ol