(3-fluorophenyl)methanamine

• ChemBase ID: 7998
• Molecular Formular: C7H8FN
• Molecular Mass: 125.1435232
• Monoisotopic Mass: 125.06407748
• SMILES: c1cc(cc(c1)CN)F
• Canonical SMILES: NCc1cccc(c1)F
• InChI: InChI=1S/C7H8FN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2
• InChIKey: QVSVMNXRLWSNGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-fluorophenyl)methanamine
• IUPAC Traditional name: (3-fluorophenyl)methanamine
• Synonyms: m-Fluorobenzyl amine; 1-(3-fluorophenyl)methanamine; (3-fluorophenyl)methanamine; m-FLUOROBENZYLAMINE; 3-Fluorobenzylamine; 3-Fluorobenzylamine; (3-Fluorophenyl)methylamine; 3-Fluorobenzylamine 97%; 3-氟苯甲胺; 间氟苄胺

Database IDs

• CAS Number: 100-82-3
• EC Number: 202-891-3
• MDL Number: MFCD00008113
• Beilstein Number: 1446928
• PubChem SID: 160971305; 24847749
• PubChem CID: 66853

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.726924
• LogD (pH = 7.4): -0.6589178
• Log P: 1.2417161
• Molar Refractivity: 34.7478 cm^3
• Polarizability: 13.340711 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 186°C; 87-89°C/25mm
• Flash Point: 159.8 °F; 71 °C; 71°C; 71°C(159°F)
• Density: 1.097; 1.097 g/mL at 25 °C(lit.); 1.10 g/ml
• Refractive Index: 1.514; 1.5150; n20/D 1.514(lit.)
• Hydrophobicity(logP): 1.237

Safety Information

• Storage Condition: 2-8°C
• Storage Warning: 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: 23-26-36/37/39-45; 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-H318-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%; 97%; 98%
• Linear Formula: FC6H4CH2NH2

DETAILS

MP Biomedicals - 05215864

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02158095

1 ml = approx. 1.10 g

Sigma Aldrich - 126896

Packaging
1, 5 g in glass bottle