Cas no 116632-40-7 (2-Chloro-1-iodo-3-methylbenzene)

2-Chloro-1-iodo-3-methylbenzene structure
116632-40-7 structure
Product Name:2-Chloro-1-iodo-3-methylbenzene
CAS No:116632-40-7
MF:C7H6ClI
MW:252.480013370514
MDL:MFCD06797214
CID:138978
PubChem ID:17750948
Update Time:2025-04-19

2-Chloro-1-iodo-3-methylbenzene Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-1-iodo-3-methylbenzene
    • 1-IODO-2-CHLORO-3-METHYL-BENZENE
    • Benzene,2-chloro-1-iodo-3-methyl-
    • 2-Chlor-3-jod-toluol
    • 2-chloro-3-iodo-toluene
    • Benzene,2-chloro-1-iodo-3-methyl
    • 2-CHLORO-3-IODOTOLUENE
    • Methyl-chlor-jod-benzol
    • 1-Iodo-2-chloro-3-methylbenzene
    • 2718AA
    • Benzene, 2-chloro-1-iodo-3-methyl-
    • AS03075
    • MFCD06797214
    • DS-17615
    • CS-0134701
    • SCHEMBL2264760
    • D82348
    • FT-0687076
    • DTXSID60590795
    • AKOS015914431
    • 116632-40-7
    • DB-060898
    • MDL: MFCD06797214
    • Inchi: 1S/C7H6ClI/c1-5-3-2-4-6(9)7(5)8/h2-4H,1H3
    • InChI Key: BMOXOVSKEZCZDG-UHFFFAOYSA-N
    • SMILES: IC1=CC=CC(C)=C1Cl

Computed Properties

  • Exact Mass: 251.92000
  • Monoisotopic Mass: 251.92028g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 94.9
  • 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
  • Topological Polar Surface Area: 0
  • XLogP3: 3.6

Experimental Properties

  • Density: 1.806±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 248.9±20.0 oC (760 Torr),
  • Flash Point: 104.3±21.8 oC,
  • Solubility: Insuluble (3.8E-3 g/L) (25 oC),
  • PSA: 0.00000
  • LogP: 3.25300

2-Chloro-1-iodo-3-methylbenzene Security Information

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