1-(4-fluorophenyl)ethan-1-amine

• ChemBase ID: 9673
• Molecular Formular: C8H10FN
• Molecular Mass: 139.1701032
• Monoisotopic Mass: 139.07972755
• SMILES: c1(ccc(cc1)F)C(N)C
• Canonical SMILES: CC(c1ccc(cc1)F)N
• InChI: InChI=1S/C8H10FN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3
• InChIKey: QGCLEUGNYRXBMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)ethan-1-amine
• IUPAC Traditional name: 1-(4-fluorophenyl)ethanamine
• Synonyms: 4-Fluoro-α-methylbenzylamine; 1-(4-Fluorophenyl)ethylamine; 1-(4-Fluorophenyl)ethanamine; 1-(4-Fluorophenyl)ethylamine; 4-Fluoro-alpha-methylbenzylamine 97%; (+/-)-4-Fluoro-alpha-methylbenzylamine; (±)-1-(4-Fluorophenyl)ethylamine; 4-氟-α-甲基苄胺; (±)-1-(4-氟苯基)氨基乙烷

Database IDs

• CAS Number: 403-40-7
• EC Number: 206-958-8
• MDL Number: MFCD00041323
• Beilstein Number: 2802417
• PubChem SID: 24849400; 160972980
• PubChem CID: 123063

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3438475
• LogD (pH = 7.4): -0.53967154
• Log P: 1.6582912
• Molar Refractivity: 39.1666 cm^3
• Polarizability: 15.18051 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 145 °C(lit.); 76°C/22mm; 76°C/22mm; 97°C/35mm
• Flash Point: 154.4 °F; 68 °C; 68°C; 68°C(154°F)
• Density: 1.03; 1.030; 1.059 g/mL at 25 °C(lit.)
• Refractive Index: 1.5015; 1.502; 1.5020; n20/D 1.502(lit.)

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Air Sensitive/Store under Argon; IRRITANT, CORROSIVE
• European Hazard Symbols: Corrosive (C)
• UN Number: 2735; UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3; III
• Risk Statements: 34
• Safety Statements: 26-27-36/37/39-45; 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H227
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2735 8/PG 3

Product Information

• Purity: 95+%; 96%; 97%
• Linear Formula: FC6H4CH(CH3)NH2

DETAILS

Sigma Aldrich - 154040

Packaging
1, 5 g in glass bottle
Application
Used in the synthesis of novel thioureas with diuretic and saluretic activity.1