2-methylaniline hydrochloride

• ChemBase ID: 147952
• Molecular Formular: C7H10ClN
• Molecular Mass: 143.614
• Monoisotopic Mass: 143.05017701
• SMILES: Cc1ccccc1N.Cl
• Canonical SMILES: Cc1ccccc1N.Cl
• InChI: InChI=1S/C7H9N.ClH/c1-6-4-2-3-5-7(6)8;/h2-5H,8H2,1H3;1H
• InChIKey: OGVXWEOZQMAAIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylaniline hydrochloride
• IUPAC Traditional name: toluidine hydrochloride
• Synonyms: 2-Methylaniline hydrochloride; o-Toluidine hydrochloride; 2-甲基苯胺 盐酸盐; 邻甲苯胺 盐酸盐

Database IDs

• CAS Number: 636-21-5
• EC Number: 211-252-8
• MDL Number: MFCD00012959
• Beilstein Number: 3558629
• PubChem SID: 24889245; 24859641; 162242133
• PubChem CID: 12484

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.618431
• LogD (pH = 7.4): 1.6572233
• Log P: 1.6577413
• Molar Refractivity: 35.7996 cm^3
• Polarizability: 13.263299 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 215-217 °C(lit.); 216-218 °C

Safety Information

• RTECS: XU7350000
• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 45-20/21/22
• Safety Statements: 53-36/37/39-45
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H312 + H332-H350
• GHS Precautionary statements: P201-P280-P308 + P313
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, Gloves, type P2 (EN 143) respirator cartridges

Product Information

• Purity: ≥98.0% (AT); 98%
• Grade: purum
• Linear Formula: CH3C6H4NH2 · HCl

DETAILS

Sigma Aldrich - 327115

Packaging
5, 100 g in glass bottle