Basic information
- CAS
495416-81-4- Standard SMILES
CCc1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-]- InChIKey
ZGXZEESRVZFUOH-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO4S
- Average molar mass
- 249.67 g/mol
- Monoisotopic mass
- 248.9862566
Names & identifiers
- Preferred name
- 4-Ethyl-3-nitrobenzene-1-sulfonyl chloride
- IUPAC
- 4-ethyl-3-nitrobenzenesulfonyl chloride
Names & synonyms
4-ethyl-3-nitrobenzene-1-sulfonyl chloride495416-81-4RefChem:522787860-788-44-ethyl-3-nitrobenzenesulfonyl chloride4-ethyl-3-nitrobenzene-1-sulfonylchlorideCS-0248534EN300-40134G40437
Database identifiers
- CAS
495416-81-4- PubChem CID
- 43363705
- EC Number
- 860-788-4
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 332
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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