(2-fluorophenyl)methanamine

• ChemBase ID: 7997
• Molecular Formular: C7H8FN
• Molecular Mass: 125.1435232
• Monoisotopic Mass: 125.06407748
• SMILES: c1ccc(c(c1)CN)F
• Canonical SMILES: NCc1ccccc1F
• InChI: InChI=1S/C7H8FN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2
• InChIKey: LRFWYBZWRQWZIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-fluorophenyl)methanamine
• IUPAC Traditional name: (2-fluorophenyl)methanamine
• Synonyms: 2-Fluorobenzylamine; 2-Fluorobenzylamine tech; o-Fluorobenzyl amine; (2-Fluorophenyl)methylamine; 2-Fluorobenzylamine 97%; 2-Fluorobenzylamine; o-FLUOROBENZYLAMINE; (2-fluorophenyl)methanamine; 邻氟苄胺; 2-氟苄胺

Database IDs

• CAS Number: 89-99-6
• EC Number: 201-957-9
• MDL Number: MFCD00008107
• Beilstein Number: 508109
• PubChem SID: 160971304; 24849983
• PubChem CID: 66649

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6678284
• LogD (pH = 7.4): -0.36760426
• Log P: 1.2417161
• Molar Refractivity: 34.7478 cm^3
• Polarizability: 13.340579 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 73-75 °C/13 mmHg(lit.); 73-75°C/13mm; 80-82°C/18mm
• Flash Point: 152.6 °F; 67 °C; 67°C; 67°C(152°F)
• Density: 1.095; 1.095 g/mL at 25 °C(lit.); 1.099
• Refractive Index: 1.517; 1.5170; n20/D 1.517(lit.)
• Hydrophobicity(logP): 1.237

Safety Information

• Storage Warning: Air Sensitive; AIR SENSITIVE, CORROSIVE; Corrosive/Air Sensitive/Store under Argon
• European Hazard Symbols: Corrosive (C)
• UN Number: 2735; UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 34; R:34
• Safety Statements: 26-27-36/37/39-45; 26-36/37/39-45; S:26-27/28-36/37/39-46-64
• TSCA Listed: false; 是
• 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 2

Product Information

• Purity: 95%; 96%; 97%
• Linear Formula: FC6H4CH2NH2

DETAILS

MP Biomedicals - 05206171

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 162485

Packaging
1 g in glass bottle