(4-chloro-3-methylphenyl)hydrazine hydrochloride

• ChemBase ID: 91815
• Molecular Formular: C7H10Cl2N2
• Molecular Mass: 193.0737
• Monoisotopic Mass: 192.02210369
• SMILES: N(c1cc(c(cc1)Cl)C)N.Cl
• Canonical SMILES: NNc1ccc(c(c1)C)Cl.Cl
• InChI: InChI=1S/C7H9ClN2.ClH/c1-5-4-6(10-9)2-3-7(5)8;/h2-4,10H,9H2,1H3;1H
• InChIKey: QBMRABNTKNEXER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chloro-3-methylphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (4-chloro-3-methylphenyl)hydrazine hydrochloride
• Synonyms: 2-Chloro-5-hydrazinotoluene hydrochloride; 4-Chloro-3-methylphenylhydrazine hydrochloride; (4-CHLORO-3-METHYL-PHENYL)-HYDRAZINE HYDROCHLORIDE

Database IDs

• CAS Number: 221687-08-7
• MDL Number: MFCD03094690
• PubChem SID: 162078513
• PubChem CID: 18355390

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.263586
• LogD (pH = 7.4): 2.478787
• Log P: 2.4823544
• Molar Refractivity: 45.6107 cm^3
• Polarizability: 16.506407 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Hygroscopic

Product Information

• Purity: 98%