Basic information
- CAS
2437-33-4- Standard SMILES
O=S(=O)(Oc1ccccc1)c1ccc(Cl)cc1- InChIKey
FQIJSBUGQPNMQA-UHFFFAOYSA-N- Molecular formula
- C12H9ClO3S
- Average molar mass
- 268.72 g/mol
- Monoisotopic mass
- 267.996093
Names & identifiers
- Preferred name
- 4-Chloro-benzenesulfonic acid phenyl ester
- IUPAC
- phenyl 4-chlorobenzenesulfonate
- English name
- Benzenesulfonic acid,4-chloro-, phenyl ester
- Molecular formula
- C12H9ClO3S
- Molecular weight
- 268.71606
Names & synonyms
4-CHLORO-BENZENESULFONIC ACID PHENYL ESTERRefChem:521744665-106-7phenyl 4-chlorobenzenesulfonate2437-33-4PHENYL 4-CHLOROBENZENE-1-SULFONATEBenzenesulfonic acid, p-chloro-, phenyl esterPhenyl p-chloro-benzene sulfonateSCHEMBL197331phenyl p-chlorobenzene-sulfonateSCHEMBL5734712DTXSID80277354
Show more names
NSC1868NSC-1868AKOS0086776984-CHLOROBENZENESULFONIC ACID, PHENYL ESTER
Database identifiers
- CAS
2437-33-4- PubChem CID
- 219955
- DTXSID
DTXSID80277354- EC Number
- 665-106-7
- Nikkaji
- J134.389K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 322
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
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
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 39 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
Upstream & downstream products
Downstream products
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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