Cas no 39620-02-5 (5-Bromonicotinoyl chloride)

5-Bromonicotinoyl chloride structure
5-Bromonicotinoyl chloride structure
Product Name:5-Bromonicotinoyl chloride
CAS No:39620-02-5
MF:C6H3BrClNO
MW:220.451119661331
MDL:MFCD00173853
CID:89374
PubChem ID:2781223
Update Time:2025-04-18

5-Bromonicotinoyl chloride Chemical and Physical Properties

Names and Identifiers

    • 5-Bromonicotinoyl chloride
    • 5-Bromopyridine-3-carbonyl chloride
    • 5-Brom-nicotinoylchlorid
    • 5-bromo-3-pyridinecarbonyl chloride
    • 5-bromonicotinic acid chloride
    • 5-Bromo-nicotinoyl chloride
    • 5-bromopyridine-3-carboxylic acid chloride
    • J-517203
    • AKOS000114023
    • 5-BROMONICOTINOYLCHLORIDE
    • A6621
    • BB 0244176
    • AS-44281
    • 5-Bromopyridine-3-carbonylchloride
    • 3-Pyridinecarbonyl chloride, 5-bromo-
    • 39620-02-5
    • SCHEMBL486303
    • FMDREJRIXNEGEG-UHFFFAOYSA-N
    • FT-0620169
    • 5-Bromopyridine-3-carbonyl chloride, AldrichCPR
    • MFCD00173853
    • DTXSID70381757
    • A10427
    • DB-006995
    • MDL: MFCD00173853
    • Inchi: 1S/C6H3BrClNO/c7-5-1-4(6(8)10)2-9-3-5/h1-3H
    • InChI Key: FMDREJRIXNEGEG-UHFFFAOYSA-N
    • SMILES: BrC1=CN=CC(C(=O)Cl)=C1
    • BRN: 115810

Computed Properties

  • Exact Mass: 218.90900
  • Monoisotopic Mass: 218.909
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 142
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.1
  • Topological Polar Surface Area: 30A^2

Experimental Properties

  • Color/Form: solid
  • Density: 1.76
  • Melting Point: 72-74°C
  • Boiling Point: 265.4°C at 760 mmHg
  • Flash Point: 114.3°C
  • Refractive Index: 1.59
  • PSA: 29.96000
  • LogP: 2.22310
  • Sensitiveness: Moisture Sensitive
  • Solubility: React with water

5-Bromonicotinoyl chloride Security Information

  • Hazard Statement: Corrosive
  • Hazardous Material transportation number:3261
  • Hazard Category Code: 34
  • Safety Instruction: S26-S36/37/39-S45
  • Hazardous Material Identification: C
  • HazardClass:8
  • PackingGroup:II
  • Safety Term:8
  • Packing Group:II
  • Risk Phrases:R34

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