2,5-dichlorobenzohydrazide

• ChemBase ID: 52366
• Molecular Formular: C7H6Cl2N2O
• Molecular Mass: 205.04134
• Monoisotopic Mass: 203.98571818
• SMILES: C(=O)(c1c(ccc(c1)Cl)Cl)NN
• Canonical SMILES: NNC(=O)c1cc(Cl)ccc1Cl
• InChI: InChI=1S/C7H6Cl2N2O/c8-4-1-2-6(9)5(3-4)7(12)11-10/h1-3H,10H2,(H,11,12)
• InChIKey: XECBCXNWGBDIMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichlorobenzohydrazide
• IUPAC Traditional name: 2,5-dichlorobenzohydrazide
• Synonyms: 2,5-Dichlorobenzhydrazide; 2,5-Dichlorobenzoic acid hydrazide; 2,5-Dichlorobenzhydrazide; 2,5-二氯苯酰肼

Database IDs

• CAS Number: 67487-35-8
• MDL Number: MFCD00014754
• Beilstein Number: 4394418
• PubChem SID: 162057129
• PubChem CID: 144246

CALCULATED PROPERTIES

• Acid pKa: 12.655754
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7347783
• LogD (pH = 7.4): 1.7354885
• Log P: 1.7354997
• Molar Refractivity: 49.2301 cm^3
• Polarizability: 18.4434 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 178-181°C; 180-181°C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%; 98+%