1-(Iodomethyl)-4-methylbenzene
Basic information
- CAS
4484-74-6- Standard SMILES
Cc1ccc(CI)cc1- InChIKey
YVJQXZQIGSNYKS-UHFFFAOYSA-N- Molecular formula
- C8H9I
- Average molar mass
- 232.06 g/mol
- Monoisotopic mass
- 231.9749
Names & identifiers
- Preferred name
- 1-(Iodomethyl)-4-methylbenzene
- IUPAC
- 1-(iodomethyl)-4-methylbenzene
- English name
- Benzene,1-(iodomethyl)-4-methyl-
- Molecular formula
- C8H9I
- Molecular weight
- 232.06
Names & synonyms
1-(iodomethyl)-4-methylbenzene4484-74-6DTXSID40288587RefChem:226739DTXCID20239734Benzene,1-(iodomethyl)-4-methyl-NSC 56730p-XylyljodidNSC56730SCHEMBL687371SCHEMBL8790747SCHEMBL9175997
Show more names
SCHEMBL11432830MFCD00972013NSC-56730AKOS014116548H79292
Database identifiers
- CAS
4484-74-6- PubChem CID
- 245144
- DTXSID
DTXSID40288587- Nikkaji
- J672.130C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 72.6
Physicochemical properties
- Melting point
- 45 · 45.0-46.5 °C
- Boiling point
- 237.5 · 237.5±19.0 °C(Predicted)
- Density
- 1.647 · 1.647±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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