(2,4-difluorophenyl)hydrazine hydrochloride

• ChemBase ID: 9378
• Molecular Formular: C6H7ClF2N2
• Molecular Mass: 180.5829864
• Monoisotopic Mass: 180.02658235
• SMILES: Cl.c1c(F)c(ccc1F)NN
• Canonical SMILES: NNc1ccc(cc1F)F.Cl
• InChI: InChI=1S/C6H6F2N2.ClH/c7-4-1-2-6(10-9)5(8)3-4;/h1-3,10H,9H2;1H
• InChIKey: AAMNNSRHAVREBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,4-difluorophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (2,4-difluorophenyl)hydrazine hydrochloride
• Synonyms: 2,4-Difluorophenylhydrazine hydrochloride; 2,4-Difluorophenylhydrazine hydrochloride; 2,4-Difluorophenylhydrazine hydrochloride 97%; (2,4-difluorophenyl)hydrazine hydrochloride; 2,4-二氟苯肼 盐酸盐; 2,4-二氟苯肼盐酸盐

Database IDs

• CAS Number: 40594-30-7; 51523-79-6
• MDL Number: MFCD00013383
• Beilstein Number: 5411448
• PubChem SID: 24859433; 160972685
• PubChem CID: 2733301

CALCULATED PROPERTIES

• Acid pKa: 16.809458
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5665442
• LogD (pH = 7.4): 1.6491308
• Log P: 1.6502923
• Molar Refractivity: 36.1975 cm^3
• Polarizability: 12.345819 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 210 - 212°C; 210 °C (dec.)(lit.); 250-260°C; 250-260(dec.)°C; ca 255°C dec.
• Hydrophobicity(logP): 1.959

Safety Information

• Storage Warning: IRRITANT; 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: 26-36/37
• 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: 95%; 97%; 98%
• Salt Data: HCl
• Linear Formula: F2C6H3NHNH2 · HCl

DETAILS

Sigma Aldrich - 324264

Packaging
1, 5 g in glass bottle