(3,4-dichlorophenyl)hydrazine

• ChemBase ID: 88767
• Molecular Formular: C6H6Cl2N2
• Molecular Mass: 177.03124
• Monoisotopic Mass: 175.99080356
• SMILES: N(c1cc(c(cc1)Cl)Cl)N
• Canonical SMILES: NNc1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C6H6Cl2N2/c7-5-2-1-4(10-9)3-6(5)8/h1-3,10H,9H2
• InChIKey: YMJSQPNVQRHZDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,4-dichlorophenyl)hydrazine
• IUPAC Traditional name: (3,4-dichlorophenyl)hydrazine
• Synonyms: 1,2-Dichloro-4-hydrazinobenzene; 3,4-Dichlorophenylhydrazine; (3,4-Dichlorophenyl)hydrazine

Database IDs

• CAS Number: 13124-18-0
• PubChem SID: 162075675
• PubChem CID: 83161

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.407557
• LogD (pH = 7.4): 2.5704496
• Log P: 2.5729778
• Molar Refractivity: 45.3743 cm^3
• Polarizability: 16.688055 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic/Irritant/Keep Cold/Store under Argon

Product Information

• Purity: 97%