(2,5-difluorophenyl)hydrazine

• ChemBase ID: 9377
• Molecular Formular: C6H6F2N2
• Molecular Mass: 144.1220464
• Monoisotopic Mass: 144.04990464
• SMILES: c1c(F)c(cc(c1)F)NN
• Canonical SMILES: NNc1cc(F)ccc1F
• InChI: InChI=1S/C6H6F2N2/c7-4-1-2-5(8)6(3-4)10-9/h1-3,10H,9H2
• InChIKey: JNBRDOQHPXUXLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,5-difluorophenyl)hydrazine
• IUPAC Traditional name: (2,5-difluorophenyl)hydrazine
• Synonyms: 2,5-Difluorophenylhydrazine; 2,5-Difluorophenylhydrazine; 1,4-Difluoro-2-hydrazinobenzene; 2,5-Difluorophenylhydrazine 98%; 2,5-DIFLUOROPHENYL-HYDRAZINE; 2,5-二氟苯肼

Database IDs

• CAS Number: 97108-50-4
• MDL Number: MFCD00013384
• PubChem SID: 160972684; 24859430
• PubChem CID: 588957

CALCULATED PROPERTIES

• Acid pKa: 15.357477
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5811492
• LogD (pH = 7.4): 1.6493496
• Log P: 1.6502923
• Molar Refractivity: 36.1975 cm^3
• Polarizability: 12.346409 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 73-76°C; 73-76°C; 75-76 °C(lit.)

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon/Keep Cold; IRRITANT
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38; 22-36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335; H302-H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P280H-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%; 98%
• Linear Formula: F2C6H3NHNH2

DETAILS

Sigma Aldrich - 324191

Packaging
5 g in glass bottle
Application
A key intermediate in the synthesis of a 7-fluorotryptophan derivative.1