p-Fluorophenethylamine (HCID 4653)

Names & identifiers

Preferred name: p-Fluorophenethylamine
IUPAC: 2-(4-fluorophenyl)ethanamine
English name: 4-Fluorophenethylamine
Molecular formula: C8H10FN
Molecular weight: 139.17

Names & synonyms

4-Fluorophenethylamine2-(4-Fluorophenyl)ethanamine2-(4-fluorophenyl)ethylamine2-(4-fluorophenyl)ethan-1-amineP-fluorophenethylamine(p-fluorophenyl)ethylamineS7W3CQD7N7EINECS 216-435-62-(p-fluorophenyl)ethylamine4-(2-aminoethyl)fluorobenzene4-FLUOROBENZENEETHANAMINEDTXSID70166400

Show more names

AURORA KA-7015RARECHEM AL BW 02154-Fluorophenethanamine4-FLUOROPHENYLETHYLAMINE4-Fluoro-benzeneethanaMine4-Fluorophenethylamine 99%4-FLUOROPHENETHYLAMINE,99+%

RefChem:169318DTXCID9088891216-435-6CKLFJWXRWIQYOC-UHFFFAOYSA-N1583-88-6Benzeneethanamine, 4-fluoro-2-(4-fluoro-phenyl)-ethylamineMFCD00134208

Database identifiers

CAS: 1583-88-6
PubChem CID: 4653
DTXSID: DTXSID70166400
ChEMBL: CHEMBL217315
UNII: S7W3CQD7N7
EC Number: 216-435-6
Nikkaji: J40.736D

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 87.3

Physicochemical properties

Boiling point: 50 · 50-52 °C/0.15 mmHg (lit.)
Density: 1.061 g/mL · 1.061 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.5072(lit.)
Flash point: 174 °F · 174 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 9.84 · 9.84±0.10(Predicted)
form: Liquid
Specific Gravity: 1.061 · 1.061
color: Yellow
Water Solubility: Slightly soluble in water.
InChI: InChI=1S/C8H10FN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
InChIKey: CKLFJWXRWIQYOC-UHFFFAOYSA-N
SMILES: C1(CCN)=CC=C(F)C=C1
CAS DataBase Reference: 1583 · 1583-88-6(CAS DataBase Reference)
FDA UNII: 7 W3CQD7N7 · S7W3CQD7N7
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 227 · H227-H300-H310-H318-H330-H301-H311-H314-H331
Precautionary statements: 261 · P261-P280-P305+P351+P338-P310-P301+P310a-P303+P361+P353-P304+P340-P320-P405-P501a
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: T,C
Risk Statements: 23 · 23/24/25-34
Safety Statements: 26 · 26-27-36/37/39-45
RIDADR: 2922 · UN 2922 8/PG 2
WGK Germany: 3 · 3
HazardClass: 8 · 8
PackingGroup: Ⅱ
HS Code: 29214200 · 29214200
Storage Class: 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: 3 OralSkin · Acute Tox. 3 OralSkin Corr. 1B
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (93.2%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (93.2%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 2922 8/PG 2
hs_code: 29214200
risk_code: 23/24/25-34
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: T,C
safety_code: 26-27-36/37/39-45
hazard_class: 8
Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
packing_group: Ⅱ
Hazard statements: H227-H300-H310-H318-H330-H301-H311-H314-H331
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Acute Tox. 3 OralSkin Corr. 1B
Precautionary statements: P261-P280-P305+P351+P338-P310-P301+P310a-P303+P361+P353-P304+P340-P320-P405-P501a

Chemistry & industry

Applications · 1 item

Uses4-Fluorophenethylamine may be employed as nucleophile in the synthesis of 2-amino-4-arylpyrimidine derivatives. It is suitable for use in the preparation of ortho-metalated primary phenethylamines having electron-releasing and electron-withdrawing groups on the aromatic ring, leading to complexes containing six membered palladacycles.