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Home> Hot Product Listed 3   > 3-BROMO-5-CHLORO-2-IODOTOLUENE
98954-25-7 structure

3-BROMO-5-CHLORO-2-IODOTOLUENE

Iupac Name:5-butylthiophene-2-carbaldehyde
CAS No.:98954-25-7
EINECS(EC#): 618-934-8
Molecular Weight:168.254
Molecular Formula:C8H6INO (isomer)
Names and Identifiers
Synonyms

1-bromo-5-chloro-2-iodo-3-methylbenzene AS03162 benzene 1-bromo-5-chloro-2-iodo-3-methyl- CTK5H2363 DTXSID30661527 KB-235116 OR068214 OR119933 RT-019592 ZINC63339603

Inchi
InChI=1S/C9H12OS/c1-2-3-4-8-5-6-9(7-10)11-8/h5-7H,2-4H2,1H3
InChkey
YVJZBWYUBZHTKJ-UHFFFAOYSA-N
Canonical Smiles
CCCCC1=CC=C(S1)C=O
Properties
Density
1.29
Boiling Point
502.3°C at 760 mmHg
Refractive Index
1.555
Flash Point
251.2°C
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:168.254g/mol
  • Molecular Formula:C8H6INO
  • Compound Is Canonicalized:True
  • Exact Mass:168.061
  • Monoisotopic Mass:168.061
  • Complexity:125
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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