2-fluorobenzohydrazide

• ChemBase ID: 7946
• Molecular Formular: C7H7FN2O
• Molecular Mass: 154.1416832
• Monoisotopic Mass: 154.05424107
• SMILES: c1cccc(c1C(=O)NN)F
• Canonical SMILES: NNC(=O)c1ccccc1F
• InChI: InChI=1S/C7H7FN2O/c8-6-4-2-1-3-5(6)7(11)10-9/h1-4H,9H2,(H,10,11)
• InChIKey: YJCCKQQVXNNAAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluorobenzohydrazide
• IUPAC Traditional name: 2-fluorobenzohydrazide
• Synonyms: 2 Flurobenzhydrazide; 2-Fluorobenzoic hydrazide; 2-Fluorobenzhydrazide; 2-Fluorobenzhydrazide 98%; 2-Fluorobenzohydrazide; 2-Fluorobenzoic hydrazide; 2-Fluorobenzhydrazide; 2-氟亚苯基肼

Database IDs

• CAS Number: 446-24-2
• MDL Number: MFCD00025112
• PubChem SID: 24878148; 160971253
• PubChem CID: 136288

CALCULATED PROPERTIES

• Acid pKa: 12.698015
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.6694229
• LogD (pH = 7.4): 0.6701017
• Log P: 0.6701124
• Molar Refractivity: 39.8369 cm^3
• Polarizability: 14.313142 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 70-74 °C(lit.); 72-73°C; 72-74°C

Safety Information

• Storage Warning: IRRITANT; 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: 95+%; 97%; 98%
• Linear Formula: FC6H4CONHNH2

DETAILS

Sigma Aldrich - 536288

Packaging
10 g in glass bottle