Basic information
- CAS
2488-54-2- Standard SMILES
O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Cl- InChIKey
JOZYBWSIYOLHHH-UHFFFAOYSA-N- Molecular formula
- C7H4ClF2NO4S
- Average molar mass
- 271.63 g/mol
- Monoisotopic mass
- 270.9517628
Names & identifiers
- Preferred name
- 1-Chloro-4-difluoromethanesulfonyl-2-nitrobenzene
- IUPAC
- 1-chloro-4-(difluoromethylsulfonyl)-2-nitrobenzene
Names & synonyms
1-chloro-4-difluoromethanesulfonyl-2-nitrobenzene2488-54-2DTXSID50304580RefChem:229476DTXCID20255712825-136-51-chloro-4-(difluoromethylsulfonyl)-2-nitrobenzene1-chloro-4-[(difluoromethyl)sulphonyl]-2-nitrobenzeneMFCD00656652NSC166348JOZYBWSIYOLHHH-UHFFFAOYSA-NCAA48854
Show more names
AKOS034450812NSC-166348EN300-73641G256951-Chloro-4-(difluoromethanesulfonyl)-2-nitrobenzeneZ56755994
Database identifiers
- CAS
2488-54-2- PubChem CID
- 296306
- DTXSID
DTXSID50304580- EC Number
- 825-136-5
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 364
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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