2-(2-fluorophenyl)ethan-1-amine

• ChemBase ID: 147247
• Molecular Formular: C8H10FN
• Molecular Mass: 139.1701032
• Monoisotopic Mass: 139.07972755
• SMILES: c1ccc(c(c1)CCN)F
• Canonical SMILES: NCCc1ccccc1F
• InChI: InChI=1S/C8H10FN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2
• InChIKey: RIKUOLJPJNVTEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluorophenyl)ethan-1-amine
• IUPAC Traditional name: 2-(2-fluorophenyl)ethanamine
• Synonyms: 2-Fluorophenethylamine; 2-Fluorophenethylamine; 2-(2-Fluorophenyl)ethanamine; 邻氟苯乙胺

Database IDs

• CAS Number: 52721-69-4
• MDL Number: MFCD00075502
• PubChem SID: 162241438; 24862880
• PubChem CID: 643357

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4711932
• LogD (pH = 7.4): -0.6606303
• Log P: 1.5303774
• Molar Refractivity: 39.5028 cm^3
• Polarizability: 15.1086 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 64 °C/0.6 mmHg(lit.)
• Flash Point: 170.6 °F; 77 °C
• Density: 1.066 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.51(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2735 8/PG 2

Product Information

• Purity: 95+%; 99%
• Linear Formula: FC6H4CH2CH2NH2

DETAILS

Sigma Aldrich - 368032

Packaging
5, 25 g in glass bottle