2-(2,4,6-trimethylphenyl)hydrazinium chloride

• ChemBase ID: 302216
• Molecular Formular: C9H15ClN2
• Molecular Mass: 186.6818
• Monoisotopic Mass: 186.09237617
• SMILES: Cc1cc(c(c(c1)C)N[NH3+])C.[Cl-]
• Canonical SMILES: [NH3+]Nc1c(C)cc(cc1C)C.[Cl-]
• InChI: InChI=1S/C9H14N2.ClH/c1-6-4-7(2)9(11-10)8(3)5-6;/h4-5,11H,10H2,1-3H3;1H
• InChIKey: XFGPCULNJGZRTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4,6-trimethylphenyl)hydrazinium chloride
• IUPAC Traditional name: 2-(2,4,6-trimethylphenyl)hydrazinium chloride
• Synonyms: Mesitylhydrazine hydrochloride; 2,4,6-Trimethylphenylhydrazine hydrochloride; 2,4,6-三甲基苯肼 盐酸

Database IDs

• CAS Number: 76195-82-9
• EC Number: 000-000-0
• MDL Number: MFCD00052268
• Beilstein Number: 3700289

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 2.64444
• LogD (pH = 7.4): 2.900675
• Log P: 2.9051526
• Molar Refractivity: 61.1191 cm^3
• Polarizability: 18.230455 Å^3
• Polar Surface Area: 39.67 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca. 185°C dec.

Safety Information

• European Hazard Symbols: X
• UN Number: UN2811
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 9-26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H331-H302-H312-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%