N'-phenylacetohydrazide

• ChemBase ID: 75231
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: N(c1ccccc1)NC(=O)C
• Canonical SMILES: CC(=O)NNc1ccccc1
• InChI: InChI=1S/C8H10N2O/c1-7(11)9-10-8-5-3-2-4-6-8/h2-6,10H,1H3,(H,9,11)
• InChIKey: UICBCXONCUFSOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-phenylacetohydrazide
• IUPAC Traditional name: N(1)-acetylphenylhydrazine
• Synonyms: 1-Acetyl-2-phenylhydrazine; N-ACETYLPHENYLHYDRAZINE; 1-Acetyl-2-phenylhydrazine; Acetic phenylhydrazide; 2-Phenylacetohydrazide; N-Acetyl-N'-phenylhydrazine; N-乙酰-N'-苯肼

Database IDs

• CAS Number: 114-83-0
• EC Number: 204-055-3
• MDL Number: MFCD00008672
• Beilstein Number: 742880
• PubChem SID: 24890888; 162040149
• PubChem CID: 8247

CALCULATED PROPERTIES

• Acid pKa: 14.044384
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.0719148
• LogD (pH = 7.4): 1.0719147
• Log P: 1.0719148
• Molar Refractivity: 44.1465 cm^3
• Polarizability: 16.353765 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 128-129°C; 128-131 °C(lit.); 128-131°C; 128-131°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Toxic/Harmful
• RTECS: AJ2900000
• European Hazard Symbols: X; Irritant (Xi); Harmful (Xn)
• UN Number: 2811; UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Australian Hazchem: 2X
• Risk Statements: 22-36/37/38; 22-36/37/38-43; R:36/37/38
• Safety Statements: 22-26-36; 26-36/37; S:20-25-26-37/39
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H317-H319-H335; H301-H315-H319-H335
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: ≥98%; 98%

DETAILS

MP Biomedicals - 02154709

Crystalline

Sigma Aldrich - A4626

Biochem/physiol Actions
Vascular tumor initiator in experimental animal model.