2-(4-Nitrophenoxy)ethane-1-sulfonyl chloride
Basic information
- CAS
54429-66-2- Standard SMILES
O=[N+]([O-])c1ccc(OCCS(=O)(=O)Cl)cc1- InChIKey
BMHHYKNEAPWIPU-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO5S
- Average molar mass
- 265.67 g/mol
- Monoisotopic mass
- 264.9811712
Names & identifiers
- Preferred name
- 2-(4-Nitrophenoxy)ethane-1-sulfonyl chloride
- IUPAC
- 2-(4-nitrophenoxy)ethanesulfonyl chloride
Names & synonyms
2-(4-nitrophenoxy)ethane-1-sulfonyl chloride54429-66-2RefChem:458225996-649-02-(4-nitrophenoxy)ethanesulfonyl chlorideECA42966AKOS0135210852-(4-nitrophenoxy)ethane-1-sulfonylchlorideCS-0261475EN300-78684G55672
Database identifiers
- CAS
54429-66-2- PubChem CID
- 64201042
- EC Number
- 996-649-0
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 325
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, 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 CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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