(3-chloro-4-fluorophenyl)hydrazine

• ChemBase ID: 10427
• Molecular Formular: C6H6ClFN2
• Molecular Mass: 160.5766432
• Monoisotopic Mass: 160.0203541
• SMILES: c1c(c(cc(c1)NN)Cl)F
• Canonical SMILES: NNc1ccc(c(c1)Cl)F
• InChI: InChI=1S/C6H6ClFN2/c7-5-3-4(10-9)1-2-6(5)8/h1-3,10H,9H2
• InChIKey: DUORBNTWCCJANU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 84282-78-0
• MDL Number: MFCD00042214
• Beilstein Number: 4383747
• PubChem SID: 160973734; 24882932
• PubChem CID: 2736575

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: 72-76°C; 74-76°C; 74-79 °C(lit.); 74-79°C

Safety Information

• Storage Warning: Air Sensitive; IRRITANT-HARMFUL, KEEP COLD; Toxic/Irritant/Corrosive/Light Sensitive/Air Sensitive/Moisture Sensitive/Store under Argon/Store at -20°C
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26; 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H318-H335; H301-H315-H319-H335
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3
• Storage Temperature: -20°C

Product Information

• Purity: 95%; 96%
• Linear Formula: FC6H3(Cl)NHNH2

DETAILS

Sigma Aldrich - 638374

Packaging
1, 5 g in glass bottle