(3,5-dichlorophenyl)hydrazine

• ChemBase ID: 10430
• Molecular Formular: C6H6Cl2N2
• Molecular Mass: 177.03124
• Monoisotopic Mass: 175.99080356
• SMILES: c1(cc(cc(c1)NN)Cl)Cl
• Canonical SMILES: NNc1cc(Cl)cc(c1)Cl
• InChI: InChI=1S/C6H6Cl2N2/c7-4-1-5(8)3-6(2-4)10-9/h1-3,10H,9H2
• InChIKey: ZQOCIFROLPHOEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,5-dichlorophenyl)hydrazine
• IUPAC Traditional name: (3,5-dichlorophenyl)hydrazine
• Synonyms: 3,5-Dichlorophenylhydrazine; 3,5-Dichlorophenylhydrazine; 3,5-二氯苯肼

Database IDs

• CAS Number: 39943-56-1
• EC Number: 000-000-0
• MDL Number: MFCD00051527
• Beilstein Number: 3126965
• PubChem SID: 160973737
• PubChem CID: 600469

CALCULATED PROPERTIES

• Acid pKa: 19.712667
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.4275322
• LogD (pH = 7.4): 2.5708077
• Log P: 2.5729778
• Molar Refractivity: 45.3743 cm^3
• Polarizability: 16.671963 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 111-114°C; 112-117°C

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT-HARMFUL
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 9-26-36/37
• TSCA Listed: false; 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%