2-(4-fluorophenoxy)acetohydrazide

• ChemBase ID: 27182
• Molecular Formular: C8H9FN2O2
• Molecular Mass: 184.1676632
• Monoisotopic Mass: 184.06480576
• SMILES: C(=O)(NN)COc1ccc(F)cc1
• Canonical SMILES: NNC(=O)COc1ccc(cc1)F
• InChI: InChI=1S/C8H9FN2O2/c9-6-1-3-7(4-2-6)13-5-8(12)11-10/h1-4H,5,10H2,(H,11,12)
• InChIKey: SEIHQPCBPNHCBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenoxy)acetohydrazide
• IUPAC Traditional name: 2-(4-fluorophenoxy)acetohydrazide
• Synonyms: 2-(4-Fluorophenoxy)acetohydrazide; 4-Fluorophenoxyacetic acid hydrazide; 4-Fluorophenoxyacetic acid hydrazide; 4-Fluorophenoxyacetic acid hydrazide 98%; 4-氟苯氧基醋酸肼

Database IDs

• CAS Number: 1737-62-8
• MDL Number: MFCD00082651
• Beilstein Number: 2526730
• PubChem SID: 160990489; 24878864
• PubChem CID: 735834

CALCULATED PROPERTIES

• Acid pKa: 11.044929
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.3314201
• LogD (pH = 7.4): 0.33273405
• Log P: 0.3328415
• Molar Refractivity: 45.1285 cm^3
• Polarizability: 17.073227 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 124-126°C; 124-126°C; 129-134 °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%; 98%; 98+%
• Linear Formula: FC6H4OCH2C(O)NHNH2

DETAILS

Sigma Aldrich - 545937

Packaging
5 g in glass bottle