4-methylaniline hydrochloride

• ChemBase ID: 110250
• Molecular Formular: C7H10ClN
• Molecular Mass: 143.614
• Monoisotopic Mass: 143.05017701
• SMILES: Cl.Cc1ccc(N)cc1
• Canonical SMILES: Cc1ccc(cc1)N.Cl
• InChI: InChI=1S/C7H9N.ClH/c1-6-2-4-7(8)5-3-6;/h2-5H,8H2,1H3;1H
• InChIKey: JQKBUTDZZRGQDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylaniline hydrochloride
• IUPAC Traditional name: P-toluidine hydrochloride
• Synonyms: p-TOLUIDINE HYDROCHLORIDE; 4-Methylaniline hydrochloride; p-Toluidine hydrochloride; 4-甲基苯胺 盐酸盐; 对甲苯胺 盐酸盐

Database IDs

• CAS Number: 540-23-8
• EC Number: 208-740-8
• MDL Number: MFCD00035497
• Beilstein Number: 3557540
• PubChem SID: 24859858; 24889246; 162095592
• PubChem CID: 10891

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5426136
• LogD (pH = 7.4): 1.6560819
• Log P: 1.6577413
• Molar Refractivity: 35.7996 cm^3
• Polarizability: 13.262377 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 243-245 °C(lit.); 243-245°C

Safety Information

• RTECS: XU7525000
• European Hazard Symbols: Nature polluting (N); Toxic (T); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 23/24/25-36-40-43-50; R:22
• Safety Statements: 28-36/37-45-61; S:36/37/39
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H317-H319-H331-H351-H400
• GHS Precautionary statements: P261-P273-P280-P301 + P310-P305 + P351 + P338-P311
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges; Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Product Information

• Purity: ≥99.0% (AT); 95+%; 98%
• Grade: purum
• Linear Formula: CH3C6H4NH2 · HCl

DETAILS

MP Biomedicals - 05214248

MP Biomedicals Rare Chemical collection