(4-chlorophenyl)methanamine

• ChemBase ID: 74476
• Molecular Formular: C7H8ClN
• Molecular Mass: 141.59812
• Monoisotopic Mass: 141.03452694
• SMILES: Clc1ccc(cc1)CN
• Canonical SMILES: NCc1ccc(cc1)Cl
• InChI: InChI=1S/C7H8ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
• InChIKey: YMVFJGSXZNNUDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chlorophenyl)methanamine
• IUPAC Traditional name: (4-chlorophenyl)methanamine
• Synonyms: 4-Chlorobenzylamine; p-CHLOROBENZYLAMINE; 4-Chlorobenzylamine; p-Chlorobenzyl amine; (4-chlorophenyl)methanamine; 对氯苄胺; 4-氯苄胺

Database IDs

• CAS Number: 104-86-9
• EC Number: 203-245-3
• MDL Number: MFCD00008121
• Beilstein Number: 507949
• PubChem SID: 24892522; 162039395
• PubChem CID: 66036

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2796582
• LogD (pH = 7.4): -0.30117434
• Log P: 1.703059
• Molar Refractivity: 39.3362 cm^3
• Polarizability: 15.551621 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 215 °C(lit.); 229°C; 229°C
• Flash Point: 194 °F; 90 °C; 90°C; 90°C(194°F)
• Density: 1.160; 1.164 g/mL at 25 °C(lit.)
• Refractive Index: 1.559; 1.5590; n20/D 1.558; n20/D 1.558(lit.)

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Air Sensitive/Store under Argon
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34; 36/37/38
• Safety Statements: 26-36; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H314-H318-H227; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280-P305+P351+P338-P309-P310
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥90% (GC); 95%; 97%; 97+%; 98%
• Grade: technical
• Linear Formula: ClC6H4CH2NH2

DETAILS

MP Biomedicals - 05203800

MP Biomedicals Rare Chemical collection

Sigma Aldrich - C27409

Packaging
5, 25 g in glass bottle