(3,4-difluorophenyl)methanamine

• ChemBase ID: 9115
• Molecular Formular: C7H7F2N
• Molecular Mass: 143.1339864
• Monoisotopic Mass: 143.05465567
• SMILES: NCc1cc(c(F)cc1)F
• Canonical SMILES: NCc1ccc(c(c1)F)F
• InChI: InChI=1S/C7H7F2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2
• InChIKey: PHLZUDXEBCQHKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,4-difluorophenyl)methanamine
• IUPAC Traditional name: (3,4-difluorophenyl)methanamine
• Synonyms: 3,4-Difluorobenzyl amine; 3,4-Difluorobenzylamine; (3,4-Difluorophenyl)methylamine; 3,4-Difluorobenzylamine 99%; (3,4-difluorophenyl)methanamine; 3,4-Difluorobenzylamine; 3,4-二氟苯甲胺; 3,4-二氟苄胺

Database IDs

• CAS Number: 72235-53-1
• EC Number: 276-503-6
• MDL Number: MFCD00010145
• Beilstein Number: 6643539
• PubChem SID: 24856013; 160972422
• PubChem CID: 123572

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.576186
• LogD (pH = 7.4): -0.4655459
• Log P: 1.3844181
• Molar Refractivity: 34.9642 cm^3
• Polarizability: 13.072618 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 174.2 °F; 79 °C; 79°C; 79°C(174°F)
• Density: 1.21; 1.21 g/mL at 25 °C(lit.); 1.210
• Refractive Index: 1.493; 1.4930; n20/D 1.493(lit.)
• Hydrophobicity(logP): 1.31

Safety Information

• 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: 3; III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45-60; 26-27-36/37/39-45
• TSCA Listed: false; 否
• 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 3

Product Information

• Purity: 95%; 97%; 98%
• Linear Formula: F2C6H3CH2NH2

DETAILS

Sigma Aldrich - 264407

Packaging
1, 5 g in glass bottle