1,4-Dimethoxy-2,3-dimethyl-5-iodobenzene
Basic information
- CAS
92015-14-0- Standard SMILES
COc1cc(I)c(OC)c(C)c1C- InChIKey
ANSFSWBTSTURGS-UHFFFAOYSA-N- Molecular formula
- C10H13IO2
- Average molar mass
- 292.11 g/mol
- Monoisotopic mass
- 291.99603
Names & identifiers
- Preferred name
- 1,4-Dimethoxy-2,3-dimethyl-5-iodobenzene
- IUPAC
- 1-iodo-2,5-dimethoxy-3,4-dimethylbenzene
- English name
- 1,4-Dimethoxy-2,3-dimethyl-5-iodobenzene
- Molecular formula
- C10H13IO2
- Molecular weight
- 292.11
Names & synonyms
92015-14-01,4-dimethoxy-2,3-dimethyl-5-iodobenzeneRefChem:416806661-601-71-iodo-2,5-dimethoxy-3,4-dimethylbenzeneSCHEMBL7131189AKOS024339097Benzene, 1-iodo-2,5-dimethoxy-3,4-dimethyl-
Database identifiers
- CAS
92015-14-0- PubChem CID
- 4424992
- EC Number
- 661-601-7
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 328.1 · 328.1±42.0 °C(Predicted)
- Density
- 1.52 · 1.520±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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