Basic information
- CAS
43001-57-6- Standard SMILES
O=[N+]([O-])c1cc(S(=O)(=O)Oc2ccccc2)ccc1Cl- InChIKey
DXNLDBASBALMSX-UHFFFAOYSA-N- Molecular formula
- C12H8ClNO5S
- Average molar mass
- 313.71 g/mol
- Monoisotopic mass
- 312.98117104
Names & identifiers
- Preferred name
- Phenyl 4-chloro-3-nitrobenzenesulfonate
- IUPAC
- phenyl 4-chloro-3-nitrobenzenesulfonate
- English name
- 1-chloro-2-nitro-4-phenoxysulfonyl-benzene
- Molecular formula
- C12H8ClNO5S
- Molecular weight
- 313.71362
Names & synonyms
phenyl 4-chloro-3-nitrobenzenesulfonate43001-57-6DTXSID10295602RefChem:861564DTXCID60246740654-616-5MLS002703767Phenyl 4-chloro-3-nitrobenzene sulfonateC12H8ClNO5SNSC103231SCHEMBL7179842CHEMBL1729943
Show more names
1-chloro-2-nitro-4-phenoxysulfonyl-benzene
DXNLDBASBALMSX-UHFFFAOYSA-NAKOS024332302NSC-1032312-nitro-4-phenoxysulfonylchloro-benzeneSMR001570482Phenyl 4-chloro-3-nitrobenzene-1-sulfonate3-nitro-4-chloro-benzene-sulfonic acid-phenylester
Database identifiers
- CAS
43001-57-6- PubChem CID
- 266121
- DTXSID
DTXSID10295602- ChEMBL
CHEMBL1729943- EC Number
- 654-616-5
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 438
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
4 records
Compound notes
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