(3-fluorophenyl)hydrazine hydrochloride

• ChemBase ID: 8359
• Molecular Formular: C6H8ClFN2
• Molecular Mass: 162.5925232
• Monoisotopic Mass: 162.03600417
• SMILES: Cl.c1cc(cc(c1)NN)F
• Canonical SMILES: NNc1cccc(c1)F.Cl
• InChI: InChI=1S/C6H7FN2.ClH/c7-5-2-1-3-6(4-5)9-8;/h1-4,9H,8H2;1H
• InChIKey: SKVGLOFWEJFQKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-fluorophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (3-fluorophenyl)hydrazine hydrochloride
• Synonyms: 3-Fluorophenylhydrazine hydrochloride; 3-Fluorophenylhydrazine hydrochloride; 3-Fluorophenylhydrazine hydrochloride 97%; (3-fluorophenyl)hydrazine hydrochloride; 3-氟苯肼 盐酸盐

Database IDs

• CAS Number: 2924-16-5
• EC Number: 220-886-4
• MDL Number: MFCD00012934
• PubChem SID: 24849394; 160971666
• PubChem CID: 2723914

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3411473
• LogD (pH = 7.4): 1.5050435
• Log P: 1.5075904
• Molar Refractivity: 35.9811 cm^3
• Polarizability: 12.560554 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 259 - 261°C; 268 °C (dec.)(lit.); 268°C; 268(dec.)°C
• Hydrophobicity(logP): 1.71

Safety Information

• Storage Warning: Irritant; IRRITANT-HARMFUL
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 97%
• Salt Data: HCl
• Linear Formula: FC6H4NHNH2 · HCl

DETAILS

Sigma Aldrich - 153974

Packaging
5, 10 g in poly bottle