4-fluorobenzohydrazide

• ChemBase ID: 7948
• Molecular Formular: C7H7FN2O
• Molecular Mass: 154.1416832
• Monoisotopic Mass: 154.05424107
• SMILES: c1cc(ccc1C(=O)NN)F
• Canonical SMILES: NNC(=O)c1ccc(cc1)F
• InChI: InChI=1S/C7H7FN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
• InChIKey: UIVXXFYJRYVRKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluorobenzohydrazide
• IUPAC Traditional name: 4-fluorobenzohydrazide
• Synonyms: 4-Fluorobenzoic hydrazide; 4-fluorobenzenecarbohydrazide; 4-Fluoro Benzoyl Hydrazine; 4-Fluorobenzhydrazide; 4-Fluorobenzohydrazide; 4-Fluorobenzoic acid hydrazide 98%; 4-Fluorobenzohydrazide; 4-Fluorobenzhydrazide; 4-氟苯甲酰肼

Database IDs

• CAS Number: 456-06-4
• MDL Number: MFCD00060562
• PubChem SID: 160971255; 24878152
• PubChem CID: 9972

CALCULATED PROPERTIES

• Acid pKa: 14.200735
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.6692069
• LogD (pH = 7.4): 0.67010087
• Log P: 0.6701124
• Molar Refractivity: 39.8369 cm^3
• Polarizability: 14.311097 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 160-162°C; 161-163°C; 161-165°C; 162-166 °C(lit.)

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%; 96%; 97%; 98%
• Linear Formula: FC6H4CONHNH2

DETAILS

Sigma Aldrich - 536334

Packaging
5, 25 g in glass bottle