(3,5-difluorophenyl)hydrazine hydrochloride

• ChemBase ID: 94999
• Molecular Formular: C6H7ClF2N2
• Molecular Mass: 180.5829864
• Monoisotopic Mass: 180.02658235
• SMILES: N(c1cc(cc(c1)F)F)N.Cl
• Canonical SMILES: NNc1cc(F)cc(c1)F.Cl
• InChI: InChI=1S/C6H6F2N2.ClH/c7-4-1-5(8)3-6(2-4)10-9;/h1-3,10H,9H2;1H
• InChIKey: CKCNKYAHVKNKHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,5-difluorophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (3,5-difluorophenyl)hydrazine hydrochloride
• Synonyms: 3,5-Difluorophenylhydrazine hydrochloride; 3,5-Difluorophenylhydrazine hydrochloride 97%; 3,5-Difluorophenylhydrazine hydrochloride; (3,5-difluorophenyl)hydrazine hydrochloride; 3,5-二氟苯肼盐酸盐; 3,5-二氟苯肼 盐酸盐

Database IDs

• CAS Number: 502496-27-7; 134993-88-7
• MDL Number: MFCD03094171
• PubChem SID: 162081650; 24879761
• PubChem CID: 16217172

CALCULATED PROPERTIES

• Acid pKa: 18.596792
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5305833
• LogD (pH = 7.4): 1.6485602
• Log P: 1.6502923
• Molar Refractivity: 36.1975 cm^3
• Polarizability: 12.345015 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 255 - 257°C; 261-266 °C(lit.); 264-266°C
• Hydrophobicity(logP): 1.882

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; 36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280H-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 97%; 98%
• Salt Data: HCl
• Linear Formula: F2C6H3NHNH2 · HCl

DETAILS

Sigma Aldrich - 558648

Packaging
1, 5 g in glass bottle