2-Nitro-5-(trichloromethylsulfonylmethyl)furan
Basic information
- CAS
68095-64-7- Standard SMILES
O=[N+]([O-])c1ccc(CS(=O)(=O)C(Cl)(Cl)Cl)o1- InChIKey
BRSQSHDRNJRRAV-UHFFFAOYSA-N- Molecular formula
- C6H4Cl3NO5S
- Average molar mass
- 308.5 g/mol
- Monoisotopic mass
- 306.887576
Names & identifiers
- Preferred name
- 2-Nitro-5-(trichloromethylsulfonylmethyl)furan
- IUPAC
- 2-nitro-5-(trichloromethylsulfonylmethyl)furan
Names & synonyms
68095-64-72-nitro-5-(trichloromethylsulfonylmethyl)furanNSC291059DTXSID30315018CCG-44646AKOS024411860NSC-291059(5-nitro-2-furyl)methyl trichloromethyl sulfone2-Nitro-5-[(trichloromethanesulfonyl)methyl]furanSR-01000634467-1
Database identifiers
- CAS
68095-64-7- PubChem CID
- 324759
- DTXSID
DTXSID30315018- EC Number
- 131-588-8
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 367
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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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