(3-chloro-4-fluorophenyl)hydrazine hydrochloride

• ChemBase ID: 7473
• Molecular Formular: C6H7Cl2FN2
• Molecular Mass: 197.0375832
• Monoisotopic Mass: 195.99703181
• SMILES: c1(ccc(cc1Cl)NN)F.Cl
• Canonical SMILES: NNc1ccc(c(c1)Cl)F.Cl
• InChI: InChI=1S/C6H6ClFN2.ClH/c7-5-3-4(10-9)1-2-6(5)8;/h1-3,10H,9H2;1H
• InChIKey: DWCDDXINAZHRLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-chloro-4-fluorophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (3-chloro-4-fluorophenyl)hydrazine hydrochloride
• Synonyms: 3-Chloro-4-fluorophenylhydrazine hydrochloride; 3-Chloro-4-fluorophenylhydrazine hydrochloride; 2-Chloro-1-fluoro-4-hydrazinobenzene hydrochloride; 3-Chloro-4-fluorophenylhydrazine hydrochloride 97%; 3-氯-4-氟苯肼 盐酸

Database IDs

• CAS Number: 175135-74-7
• MDL Number: MFCD00052267
• PubChem SID: 160970780
• PubChem CID: 44181777

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9481351
• LogD (pH = 7.4): 2.109142
• Log P: 2.111635
• Molar Refractivity: 40.7859 cm^3
• Polarizability: 14.522857 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 211-212°C; 211-212(dec.)°C; ca 210°C dec.

Safety Information

• Storage Warning: Harmful/Irritant
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 98%