4-aminobenzohydrazide

• ChemBase ID: 21486
• Molecular Formular: C7H9N3O
• Molecular Mass: 151.16586
• Monoisotopic Mass: 151.07456192
• SMILES: C(=O)(c1ccc(N)cc1)NN
• Canonical SMILES: NNC(=O)c1ccc(cc1)N
• InChI: InChI=1S/C7H9N3O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,8-9H2,(H,10,11)
• InChIKey: WPBZMCGPFHZRHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-aminobenzohydrazide
• IUPAC Traditional name: 4-aminobenzoylhydrazine
• Synonyms: p-AMINOBENZHYDRAZIDE; p-AMINOBENZOIC ACID HYDRAZIDE; 4-Aminobenzoic hydrazide; 4-Aminobenzoic acid hydrazide; (4-Aminobenzoyl)hydrazine; 4-Aminobenzhydrazide; 4-Aminobenzohydrazide; 4-氨基苯甲酰肼

Database IDs

• CAS Number: 5351-17-7
• EC Number: 226-324-4
• MDL Number: MFCD00007606
• Beilstein Number: 639053
• PubChem SID: 24890836; 160984793
• PubChem CID: 21450

CALCULATED PROPERTIES

• Acid pKa: 15.212029
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.30504432
• LogD (pH = 7.4): -0.3015601
• Log P: -0.30151555
• Molar Refractivity: 44.3209 cm^3
• Polarizability: 15.732221 Å^3
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 225-227 °C(lit.); 225-230°C

Safety Information

• Storage Warning: IRRITANT
• RTECS: DG2580000
• 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: 95%; 95+%; 98%
• Linear Formula: H2NC6H4C(O)NHNH2

DETAILS

MP Biomedicals - 05220229

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05201155

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A41909

Packaging
10 g in poly bottle