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Basic information
- CAS
14120-13-9- Standard SMILES
COc1cc(I)c([N+](=O)[O-])cc1OC- InChIKey
JTESSAIGBDTIRH-UHFFFAOYSA-N- Molecular formula
- C8H8INO4
- Average molar mass
- 309.06 g/mol
- Monoisotopic mass
- 308.94981
Names & identifiers
- Preferred name
- 1,2-Dimethoxy-4-iodo-5-nitrobenzene
- IUPAC
- 1-iodo-4,5-dimethoxy-2-nitrobenzene
Names & synonyms
1,2-DIMETHOXY-4-IODO-5-NITROBENZENE14120-13-9RefChem:411725621-842-04-iodo-5-nitro-1,2-dimethoxybenzeneSCHEMBL14785603JTESSAIGBDTIRH-UHFFFAOYSA-NAKOS024338968
Database identifiers
- CAS
14120-13-9- PubChem CID
- 4048552
- EC Number
- 621-842-0
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 208
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 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Related reactions
4 records
Compound notes
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