2-(2,5-dimethylphenyl)hydrazinium chloride

• ChemBase ID: 302288
• Molecular Formular: C8H13ClN2
• Molecular Mass: 172.65522
• Monoisotopic Mass: 172.07672611
• SMILES: Cc1ccc(c(c1)N[NH3+])C.[Cl-]
• Canonical SMILES: [NH3+]Nc1cc(C)ccc1C.[Cl-]
• InChI: InChI=1S/C8H12N2.ClH/c1-6-3-4-7(2)8(5-6)10-9;/h3-5,10H,9H2,1-2H3;1H
• InChIKey: OMOFMSZLYCEIAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dimethylphenyl)hydrazinium chloride
• IUPAC Traditional name: 2-(2,5-dimethylphenyl)hydrazinium chloride
• Synonyms: 2,5-Dimethylphenylhydrazine hydrochloride; 2,5-二甲基苯肼盐酸盐

Database IDs

• CAS Number: 56737-78-1
• MDL Number: MFCD00013382
• Beilstein Number: 6118180

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 2.1377716
• LogD (pH = 7.4): 2.387406
• Log P: 2.3917313
• Molar Refractivity: 56.0779 cm^3
• Polarizability: 16.46436 Å^3
• Polar Surface Area: 39.67 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 205°C dec.

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 98%