[(2-chlorophenyl)methyl](methyl)amine

• ChemBase ID: 18290
• Molecular Formular: C8H10ClN
• Molecular Mass: 155.6247
• Monoisotopic Mass: 155.05017701
• SMILES: c1(c(Cl)cccc1)CNC
• Canonical SMILES: CNCc1ccccc1Cl
• InChI: InChI=1S/C8H10ClN/c1-10-6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3
• InChIKey: DIWGZVQKFSFNLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-chlorophenyl)methyl](methyl)amine
• IUPAC Traditional name: [(2-chlorophenyl)methyl](methyl)amine
• Synonyms: (2-Chloro-benzyl)-methyl-amine; N-(2-Chlorobenzyl)-N-Methylamine; (2-Chlorophenyl)-N-methylmethylamine; 2-Chloro-N-methylbenzylamine; 2-Chloro-N-methylbenzylamine; O-CHLORO-N-METHYLBENZYLAMINE; N(o-CHLOROBENZYL)METHYLAMINE; (2-Chlorophenyl)-N-methylmethanamine; 2-氯-N-甲基苄胺

Database IDs

• CAS Number: 932-32-1; 94-64-4
• EC Number: 202-350-1
• MDL Number: MFCD00013627
• PubChem SID: 160981597; 24847747
• PubChem CID: 66754

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.85732883
• LogD (pH = 7.4): 0.6749722
• Log P: 2.1356394
• Molar Refractivity: 44.1108 cm^3
• Polarizability: 17.399752 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 172 - 174°C
• Boiling Point: 225-226 °C(lit.); 225-226°C
• Flash Point: 208.4 °F; 98 °C; 98°C
• Density: 1.11; 1.110 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.5430(lit.)
• Hydrophobicity(logP): 2.223

Safety Information

• Storage Warning: IRRITANT; Irritant/Store under Argon
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41
• Safety Statements: 26-36
• TSCA Listed: false
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95%; 97%
• Linear Formula: ClC6H4CH2NHCH3

DETAILS

MP Biomedicals - 05215229

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 126853

Packaging
1, 5 g in glass bottle