4-chlorobenzohydrazide

• ChemBase ID: 52067
• Molecular Formular: C7H7ClN2O
• Molecular Mass: 170.59628
• Monoisotopic Mass: 170.02469053
• SMILES: C(=O)(c1ccc(cc1)Cl)NN
• Canonical SMILES: NNC(=O)c1ccc(cc1)Cl
• InChI: InChI=1S/C7H7ClN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
• InChIKey: PKBGHORNUFQAAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chlorobenzohydrazide
• IUPAC Traditional name: benzoylhydrazine, P-chloro
• Synonyms: 4-Chlorobenzhydrazide; 4-Chlorobenzhydrazide; 4-Chlorobenzoic acid hydrazide; 4-Chlorobenzene-1-carbohydrazide; 4-氯苯甲酰肼

Database IDs

• CAS Number: 536-40-3
• EC Number: 208-632-0
• MDL Number: MFCD00007603
• Beilstein Number: 511154
• PubChem SID: 162056830; 24854067; 24855718
• PubChem CID: 10816

CALCULATED PROPERTIES

• Acid pKa: 14.18638
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1305771
• LogD (pH = 7.4): 1.131444
• Log P: 1.1314551
• Molar Refractivity: 44.4253 cm^3
• Polarizability: 16.490515 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 162-163°C; 162-165 °C; 162-165 °C(lit.); 162-166°C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.0% (HPLC); 97%; 98%
• Grade: purum
• Linear Formula: ClC6H4CONHNH2

DETAILS

MP Biomedicals - 05220372

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 259616

Packaging
5, 25 g in glass bottle