acetohydrazide

• ChemBase ID: 69425
• Molecular Formular: C2H6N2O
• Molecular Mass: 74.08184
• Monoisotopic Mass: 74.04801282
• SMILES: C(=O)(C)NN
• Canonical SMILES: CC(=O)NN
• InChI: InChI=1S/C2H6N2O/c1-2(5)4-3/h3H2,1H3,(H,4,5)
• InChIKey: OFLXLNCGODUUOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: acetohydrazide
• IUPAC Traditional name: acetohydrazide
• Synonyms: Acetic acid hydrazide; Acetylhydrazine; Acethydrazide; Acetic hydrazide; acetohydrazide; Acethydrazide; ACETIC ACID HYDRAZIDE; Acethydrazide; 乙酰肼

Database IDs

• CAS Number: 1068-57-1
• EC Number: 213-948-7
• MDL Number: MFCD00007610
• Beilstein Number: 506165
• PubChem SID: 24891331; 24845058; 162035151
• PubChem CID: 14039

CALCULATED PROPERTIES

• Acid pKa: 13.181246
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.3293564
• LogD (pH = 7.4): -1.3267976
• Log P: -1.326764
• Molar Refractivity: 18.95 cm^3
• Polarizability: 7.0930085 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 58-68 °C; 58-68 °C(lit.); 65-68°C; 66 - 68°C; ca 60-68°C
• Boiling Point: 128-129°C/18mm; 129 °C/18 mmHg(lit.); 129°C @ 18 mm
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Hydrophobicity(logP): -1.624

Safety Information

• Storage Condition: 2-8°C, Desiccate, Store Under Nitrogen
• Storage Warning: Hygroscopic; IRRITANT
• RTECS: AI1225000
• European Hazard Symbols: Toxic (T); X
• German water hazard class: 1
• Risk Statements: 22-36/37/38; 25-36/38-40-68
• Safety Statements: 26-36/37; 26-36/37-45
• TSCA Listed: false; 是
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335; H301-H315-H319-H341-H351
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P281-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ≥90% (NT); 90%; 95%; 95+%; 96%
• Grade: technical
• Impurities: <10% acetic acid
• Linear Formula: CH3CONHNH2

DETAILS

MP Biomedicals - 05215379

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02154679

(Acethydrazide) Purity: 95%

Sigma Aldrich - A8309

Packaging
5, 25, 100 g in glass bottle