(2-chloro-4-methylphenyl)hydrazine hydrochloride

• ChemBase ID: 69001
• Molecular Formular: C7H10Cl2N2
• Molecular Mass: 193.0737
• Monoisotopic Mass: 192.02210369
• SMILES: N(N)c1c(cc(cc1)C)Cl.Cl
• Canonical SMILES: NNc1ccc(cc1Cl)C.Cl
• InChI: InChI=1S/C7H9ClN2.ClH/c1-5-2-3-7(10-9)6(8)4-5;/h2-4,10H,9H2,1H3;1H
• InChIKey: JCSUBZJLENMKRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloro-4-methylphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (2-chloro-4-methylphenyl)hydrazine hydrochloride
• Synonyms: (2-Chloro-4-methylphenyl)hydrazine hydrochloride; 2-Chloro-4-methylphenylhydrazine hydrochloride

Database IDs

• CAS Number: 90631-70-2; 227958-97-6
• PubChem SID: 162034731
• PubChem CID: 44557934

CALCULATED PROPERTIES

• Acid pKa: 19.05996
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.3336735
• LogD (pH = 7.4): 2.4801276
• Log P: 2.4823544
• Molar Refractivity: 45.6107 cm^3
• Polarizability: 16.523077 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%