CAS 403-40-7 1-(4-Fluorophenyl)ethylamine (HCID 123063)

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Basic information

CAS: 403-40-7
Standard SMILES: CC(N)c1ccc(F)cc1
InChIKey: QGCLEUGNYRXBMZ-UHFFFAOYSA-N
Molecular formula: C8H10FN
Average molar mass: 139.17 g/mol
Monoisotopic mass: 139.07972754

Names & identifiers

Preferred name: 1-(4-Fluorophenyl)ethylamine
IUPAC: 1-(4-fluorophenyl)ethanamine
English name: 1-(4-Fluorophenyl)ethylamine
Molecular formula: C8H10FN
Molecular weight: 139.17

Names & synonyms

1-(4-Fluorophenyl)ethylamineRefChem:4256251-(4-fluorophenyl)ethanamine403-40-74-Fluoro-alpha-methylbenzylamine1-(4-fluorophenyl)ethan-1-aminedl-4-fluoro-alpha-methylbenzylamineMFCD000413231-(4'-fluorophenyl)ethanamine4-Fluoro-a-methylbenzylamine4-Fluoro-|A-methylbenzylamine1-(p-fluorophenyl)-ethylamine

Show more names

AKOS BC-26171-(4-FLUOROPHENYL)E1-(4-Fluorophenyl)ethamine-methyl-4-fluoro-benzylamine4-fluoro-α-methylbenzylaminep-Fluro-α--MethylbenzylaMine

(+/-)-1-(4-fluorophenyl)ethylamineP-FLUORO-ALPHA-METHYLBENZYLAMINEp-fluoro-a-methylbenzylamine4-Fluoro-alpha-methylbenzyl amine(rs)-1-(4-fluorophenyl)ethylamineEINECS 206-958-8(S)-4-Fluoro-alpha-methylbenzylaminealpha-methyl-4-fluorobenzylamine

Database identifiers

CAS: 403-40-7
PubChem CID: 123063
DTXSID: DTXSID80960739
UNII: P5LVU25R8A
EC Number: 206-958-8
Nikkaji: J213.660K

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 97.4

Physicochemical properties

Melting point: -30 °C · -30°C
Boiling point: 145 °C · 145 °C(lit.)
Density: 1.059 g/mL · 1.059 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.502(lit.)
Flash point: 155 °F · 155 °F
storage temp.: 2 · Storage temp. 2-8°C
form: Liquid
pka: 8.98 · 8.98±0.10(Predicted)
color: Clear colorless to yellow or light orange
Sensitive: Air Sensitive
BRN: 2802417 · 2802417
InChI: 1S/C8H10FN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3
InChIKey: QGCLEUGNYRXBMZ-UHFFFAOYSA-N
SMILES: CC(N)c1ccc(F)cc1
CAS DataBase Reference: 403 · 403-40-7(CAS DataBase Reference)
FDA UNII: 5 LVU25R8A · P5LVU25R8A

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (97.8%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 2735 8/PG 3
hs_code: 29214990
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
hazard_note: Corrosive
safety_code: 26-27-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: 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)

Chemistry & industry

Applications

Uses4-Fluoro-α-methylbenzylamine was used in the synthesis of novel thioureas with diuretic and saluretic activity. It has also been used for nucleophilic substitution reactions.