3-Iodo-2-methylbenzamide
Basic information
- CAS
52107-88-7- Standard SMILES
Cc1c(I)cccc1C(N)=O- InChIKey
DJPSBVMKTDXUEX-UHFFFAOYSA-N- Molecular formula
- C8H8INO
- Average molar mass
- 261.06 g/mol
- Monoisotopic mass
- 260.96506
Names & identifiers
- Preferred name
- 3-Iodo-2-methylbenzamide
- IUPAC
- 3-iodo-2-methylbenzamide
- English name
- 3-Iodo-2-methyl-benzamide
- Molecular formula
- C8H8INO
- Molecular weight
- 261.06
Names & synonyms
3-iodo-2-methylbenzamide52107-88-7Benzamide, 3-iodo-2-methyl-MFCD019403203-Iodo-2-methyl-benzamideSCHEMBL7161047DTXSID801318858AKOS025123922H76488AE-477/25037024A1-27352
Database identifiers
- CAS
52107-88-7- PubChem CID
- 56690331
- DTXSID
DTXSID801318858
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 293.7 · 293.7±33.0 °C(Predicted)
- Density
- 1.782 · 1.782±0.06 g/cm3(Predicted)
- pka
- 15.45 · 15.45±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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