(3,4-difluorophenyl)hydrazine hydrochloride

• ChemBase ID: 15542
• Molecular Formular: C6H7ClF2N2
• Molecular Mass: 180.5829864
• Monoisotopic Mass: 180.02658235
• SMILES: c1c(c(cc(c1)NN)F)F.Cl
• Canonical SMILES: NNc1ccc(c(c1)F)F.Cl
• InChI: InChI=1S/C6H6F2N2.ClH/c7-5-2-1-4(10-9)3-6(5)8;/h1-3,10H,9H2;1H
• InChIKey: QTEJTSFVIILHJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,4-difluorophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (3,4-difluorophenyl)hydrazine hydrochloride
• Synonyms: 3,4-Difluorophenylhydrazine hydrochloride; 3,4-Difluorophenylhydrazine hydrochloride; 3,4-Difluorophenylhydrazine hydrochloride 97%; (3,4-Difluorophenyl)hydrazine hydrochloride; 3,4-二氟苯肼盐酸盐

Database IDs

• CAS Number: 40594-30-7; 40594-37-4; 875664-54-3
• EC Number: None
• MDL Number: MFCD03094170
• PubChem SID: 160978849
• PubChem CID: 24721344

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.504108
• LogD (pH = 7.4): 1.6481092
• Log P: 1.6502923
• Molar Refractivity: 36.1975 cm^3
• Polarizability: 12.342857 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 230(dec.)°C; ca 230°C dec.

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P280H-P305+P351+P338

Product Information

• Purity: 98%