3,5-dichlorobenzohydrazide

• ChemBase ID: 10260
• Molecular Formular: C7H6Cl2N2O
• Molecular Mass: 205.04134
• Monoisotopic Mass: 203.98571818
• SMILES: c1(C(=O)NN)cc(cc(c1)Cl)Cl
• Canonical SMILES: NNC(=O)c1cc(Cl)cc(c1)Cl
• InChI: InChI=1S/C7H6Cl2N2O/c8-5-1-4(7(12)11-10)2-6(9)3-5/h1-3H,10H2,(H,11,12)
• InChIKey: DNISXKBKTSHNKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichlorobenzohydrazide
• IUPAC Traditional name: 3,5-dichlorobenzohydrazide
• Synonyms: 3,5-Dichlorobenzhydrazide; 3,5-Dichlorobenzhydrazide; 3,5-Dichlorobenzohydrazide; 3,5-dichlorobenzene-1-carbohydrazide; 3,5-二氯苯酰肼

Database IDs

• CAS Number: 62899-78-9
• MDL Number: MFCD00833411
• PubChem SID: 160973567
• PubChem CID: 2735966

CALCULATED PROPERTIES

• Acid pKa: 13.588627
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.734696
• LogD (pH = 7.4): 1.7354894
• Log P: 1.7354997
• Molar Refractivity: 49.2301 cm^3
• Polarizability: 18.433538 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 205-207°C; 205-207°C

Safety Information

• Storage Warning: IRRITANT; 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: 97%