2-(2-chlorophenoxy)acetohydrazide

• ChemBase ID: 21648
• Molecular Formular: C8H9ClN2O2
• Molecular Mass: 200.62226
• Monoisotopic Mass: 200.03525522
• SMILES: C(=O)(NN)COc1c(Cl)cccc1
• Canonical SMILES: NNC(=O)COc1ccccc1Cl
• InChI: InChI=1S/C8H9ClN2O2/c9-6-3-1-2-4-7(6)13-5-8(12)11-10/h1-4H,5,10H2,(H,11,12)
• InChIKey: DSVNKLUHRGOPJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenoxy)acetohydrazide
• IUPAC Traditional name: 2-(2-chlorophenoxy)acetohydrazide
• Synonyms: 2-Chlorophenoxyacetic acid hydrazide 98%; 2-(2-Chlorophenoxy)acetohydrazide; 2-Chlorophenoxyacetic acid hydrazide; 2-氯苯氧基乙酰肼

Database IDs

• CAS Number: 36304-40-2
• EC Number: 000-000-0
• MDL Number: MFCD00082786
• Beilstein Number: 979183
• PubChem SID: 160984955
• PubChem CID: 181471

CALCULATED PROPERTIES

• Acid pKa: 11.065607
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.79276305
• LogD (pH = 7.4): 0.79408103
• Log P: 0.7941842
• Molar Refractivity: 49.7169 cm^3
• Polarizability: 19.263931 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 110-113°C; 111-112°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: 98%