(2,4-dichlorophenyl)hydrazine

• ChemBase ID: 37100
• Molecular Formular: C6H6Cl2N2
• Molecular Mass: 177.03124
• Monoisotopic Mass: 175.99080356
• SMILES: c1(cc(c(cc1)NN)Cl)Cl
• Canonical SMILES: NNc1ccc(cc1Cl)Cl
• InChI: InChI=1S/C6H6Cl2N2/c7-4-1-2-6(10-9)5(8)3-4/h1-3,10H,9H2
• InChIKey: ZTPAUBJZUBGGEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 5446-18-4; 13123-92-7
• MDL Number: MFCD00044514
• PubChem SID: 161000407
• PubChem CID: 408929

CALCULATED PROPERTIES

• Acid pKa: 17.904102
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.4521348
• LogD (pH = 7.4): 2.5712268
• Log P: 2.5729778
• Molar Refractivity: 45.3743 cm^3
• Polarizability: 16.666506 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 91-94°C

Safety Information

• Storage Warning: IRRITANT; Irritant/Keep Cold
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%