Cas no 849035-80-9 (2-(bromomethyl)-1-chloro-5-methylsulfonyl-3-nitrobenzene)

2-(bromomethyl)-1-chloro-5-methylsulfonyl-3-nitrobenzene structure
849035-80-9 structure
Product Name:2-(bromomethyl)-1-chloro-5-methylsulfonyl-3-nitrobenzene
CAS No:849035-80-9
MF:C8H7BrClNO4S
MW:328.567479372025
CID:1828629
PubChem ID:2761078
Update Time:2025-04-21

2-(bromomethyl)-1-chloro-5-methylsulfonyl-3-nitrobenzene Chemical and Physical Properties

Names and Identifiers

    • 2-(bromomethyl)-1-chloro-5-methylsulfonyl-3-nitrobenzene
    • 2-(BROMOMETHYL)-1-CHLORO-5-(METHYLSULFONYL)-3-NITROBENZENE
    • AC1MC44N
    • CTK5I9698
    • OR7958
    • AG-A-32230
    • KB-223791
    • DTXSID60375529
    • 2-Chloro-4-(methylsulphonyl)-6-nitrobenzyl bromide
    • AKOS015957547
    • 2-BROMOMETHYL-1-CHLORO-5-(METHYLSULFONYL)-3-NITROBENZENE
    • 849035-80-9
    • Inchi: 1S/C8H7BrClNO4S/c1-16(14,15)5-2-7(10)6(4-9)8(3-5)11(12)13/h2-3H,4H2,1H3
    • InChI Key: UBUZHYMVSMTCNE-UHFFFAOYSA-N
    • SMILES: BrCC1C(=CC(=CC=1[N+](=O)[O-])S(C)(=O)=O)Cl

Computed Properties

  • Exact Mass: 326.89677g/mol
  • Monoisotopic Mass: 326.89677g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 363
  • 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
  • XLogP3: 2.2
  • Topological Polar Surface Area: 88.3?2

Experimental Properties

  • Melting Point: 139-142

2-(bromomethyl)-1-chloro-5-methylsulfonyl-3-nitrobenzene Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi
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