1-Iodo-2,5-dimethyl-4-nitrobenzene
Basic information
- CAS
6311-51-9- Standard SMILES
Cc1cc([N+](=O)[O-])c(C)cc1I- InChIKey
CJMAFEVEDSAPLF-UHFFFAOYSA-N- Molecular formula
- C8H8INO2
- Average molar mass
- 277.06 g/mol
- Monoisotopic mass
- 276.95998
Names & identifiers
- Preferred name
- 1-Iodo-2,5-dimethyl-4-nitrobenzene
- IUPAC
- 1-iodo-2,5-dimethyl-4-nitrobenzene
- English name
- Benzene,1-iodo-2,5-dimethyl-4-nitro-
- Molecular formula
- C8H8INO2
- Molecular weight
- 277.06
Names & synonyms
1-iodo-2,5-dimethyl-4-nitrobenzene6311-51-91,4-Dimethyl-2-iodo-5-nitrobenzeneNSC43217CBDivE_012806DTXSID30285909NSC 43217NSC-43217STK080191AKOS005392341F9994-5237Benzene,1-iodo-2,5-dimethyl-4-nitro-
Database identifiers
- CAS
6311-51-9- PubChem CID
- 238701
- DTXSID
DTXSID30285909
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- 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
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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