(2-chlorophenyl)methanamine

• ChemBase ID: 10670
• Molecular Formular: C7H8ClN
• Molecular Mass: 141.59812
• Monoisotopic Mass: 141.03452694
• SMILES: c1ccc(c(c1)CN)Cl
• Canonical SMILES: NCc1ccccc1Cl
• InChI: InChI=1S/C7H8ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2
• InChIKey: KDDNKZCVYQDGKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chlorophenyl)methanamine
• IUPAC Traditional name: (2-chlorophenyl)methanamine
• Synonyms: (2-Chlorophenyl)methylamine; 2-Chlorobenzylamine 97%; (2-chlorophenyl)methanamine; 1-(2-Chlorophenyl)methanamine; 2-Chlorobenzenemethanamine; NSC 60118; o-Chlorobenzylamine; o-Chlorobenzyl amine; 2-Chlorobenzylamine; 2-Chlorobenzylamine; 2-氯苄胺; 邻氯苄胺

Database IDs

• CAS Number: 89-97-4
• EC Number: 201-955-8
• MDL Number: MFCD00008108
• Beilstein Number: 907186
• PubChem SID: 24892521; 160973977
• PubChem CID: 66648

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2474346
• LogD (pH = 7.4): -0.089628845
• Log P: 1.703059
• Molar Refractivity: 39.3362 cm^3
• Polarizability: 15.556212 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 103-104 °C/11 mmHg(lit.); 103-104°C/11mm; 227°C
• Flash Point: 190.4 °F; 88 °C; 88°C; 88°C(190°F)
• Density: 1.170; 1.173; 1.173 g/mL at 25 °C(lit.)
• Refractive Index: 1.5620; 1.5630; n20/D 1.562(lit.)

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; 34-37
• Safety Statements: 26-36/37/39-45
• TSCA Listed: true; 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318-H227
• GHS Precautionary statements: P280-P305 + P351 + P338-P310; P280-P305+P351+P338-P309-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: ClC6H4CH2NH2

DETAILS

Sigma Aldrich - C27204

Packaging
25, 100 g in glass bottle

Toronto Research Chemicals - C364705

2-Chlorobenzylamine is a chlorinated derivative of benzylamine. 2-Chlorobenzylamine showed plasmin inhibitory activity as well as inhibition of bovine thrombin activity.

REFERENCES

• Landmann, H.: Haematol. Supp., 1, 169 (1970)
• Markwardt, F. et al.: Pharmazie, 24, 400 (1970)