(2,3-difluorophenyl)methanamine

• ChemBase ID: 95000
• Molecular Formular: C7H7F2N
• Molecular Mass: 143.1339864
• Monoisotopic Mass: 143.05465567
• SMILES: NCc1c(c(ccc1)F)F
• Canonical SMILES: NCc1cccc(c1F)F
• InChI: InChI=1S/C7H7F2N/c8-6-3-1-2-5(4-10)7(6)9/h1-3H,4,10H2
• InChIKey: OHZUCDHZOHSBPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3-difluorophenyl)methanamine
• IUPAC Traditional name: (2,3-difluorophenyl)methanamine
• Synonyms: 2,3-Difluorobenzylamine; 2,3-Difluorobenzylamine 98%; 2,3-Difluorobenzyl amine; 2,3-Difluorobenzylamine; 2,3-二氟苄胺; 2,3-二氟苄基胺

Database IDs

• CAS Number: 72235-51-9
• MDL Number: MFCD00070793
• PubChem SID: 24878346; 162081651
• PubChem CID: 2736941

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.486294
• LogD (pH = 7.4): -0.09396887
• Log P: 1.3844181
• Molar Refractivity: 34.9642 cm^3
• Polarizability: 13.072481 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C/4 mmHg(lit.)
• Flash Point: 170.6 °F; 77 °C
• Density: 1.223 g/mL at 25 °C(lit.)
• Refractive Index: 1.4955; n20/D 1.495(lit.)

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Air Sensitive
• 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: 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-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: 97%
• Linear Formula: F2C6H3CH2NH2

DETAILS

Sigma Aldrich - 538612

Packaging
5, 25 g in glass bottle