2-aminobenzohydrazide

• ChemBase ID: 52254
• Molecular Formular: C7H9N3O
• Molecular Mass: 151.16586
• Monoisotopic Mass: 151.07456192
• SMILES: C(=O)(c1c(cccc1)N)NN
• Canonical SMILES: NNC(=O)c1ccccc1N
• InChI: InChI=1S/C7H9N3O/c8-6-4-2-1-3-5(6)7(11)10-9/h1-4H,8-9H2,(H,10,11)
• InChIKey: GRWMSCBKWMQPON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminobenzohydrazide
• IUPAC Traditional name: benzoylhydrazine, O-amino
• Synonyms: 2-Aminobenzhydrazide; o-AMINOBENZHYDRAZIDE; 2-Aminobenzohydrazide; 2-Aminobenzhydrazide; 2-氨基苯甲酰肼; 2-氨基亚苯基肼

Database IDs

• CAS Number: 1904-58-1
• EC Number: 217-604-7
• MDL Number: MFCD00017056
• Beilstein Number: 742811
• PubChem SID: 162057017; 24880239
• PubChem CID: 94728

CALCULATED PROPERTIES

• Acid pKa: 14.853603
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.34685966
• LogD (pH = 7.4): 0.34846398
• Log P: 0.34848446
• Molar Refractivity: 44.3209 cm^3
• Polarizability: 15.734096 Å^3
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 121-125 °C(lit.); 122-124°C; 122-124°C

Safety Information

• Storage Warning: IRRITANT; Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 是
• 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: 97%; 98+%
• Linear Formula: H2NC6H4CONHNH2

DETAILS

MP Biomedicals - 05220213

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 565490

Packaging
10, 50 g in glass bottle