Basic information
- CAS
90084-62-1- Standard SMILES
CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)Cl)c1- InChIKey
ZHCBIWRMYWDSNE-UHFFFAOYSA-N- Molecular formula
- C7H6Cl2O4S2
- Average molar mass
- 289.2 g/mol
- Monoisotopic mass
- 287.90845603
Names & identifiers
- Preferred name
- 2-Chloro-5-(methylsulfonyl)benzenesulfonyl chloride
- IUPAC
- 2-chloro-5-methylsulfonylbenzenesulfonyl chloride
- English name
- 2-Chloro-5-(methylsulfonyl)benzenesulfonyl chloride
- Molecular formula
- C7H6Cl2O4S2
- Molecular weight
- 289.16
Names & synonyms
90084-62-12-chloro-5-(methylsulfonyl)benzenesulfonyl chloride2-chloro-5-methanesulfonylbenzene-1-sulfonyl chloride2-Chloro-5-methylsulfonyl-benzenesulfonyl chloride2-chloro-5-methylsulfonylbenzenesulfonyl chlorideMFCD084450605-Methanesulfonyl-2-chlorobenzenesulfonyl chloride2-Chloro-5-Methanesulfonylbenzenesulfonyl ChlorideSCHEMBL10363279DTXSID80585522ZHCBIWRMYWDSNE-UHFFFAOYSA-NQDA08462
Show more names
Benzenesulfonyl chloride, 2-chloro-5-(methylsulfonyl)-
AKOS000149320CS-0245919EN300-31349G23248F6610252-chloro-5-methanesulfonylbenzene-1-sulfonylchloride2-Chloro-5-(methanesulfonyl)benzene-1-sulfonyl chlorideZ228589148
Database identifiers
- CAS
90084-62-1- PubChem CID
- 16228482
- DTXSID
DTXSID80585522
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 417
Physicochemical properties
- Melting point
- 144 °C · 144 °C
- Boiling point
- 471.1 · 471.1±45.0 °C(Predicted)
- Density
- 1.608 · 1.608±0.06 g/cm3(Predicted)
- form
- solid
- InChI
- 1S/C7H6Cl2O4S2/c1-14(10,11)5-2-3-6(8)7(4-5)15(9,12)13/h2-4H,1H3
- InChIKey
- ZHCBIWRMYWDSNE-UHFFFAOYSA-N
- SMILES
- CS(=O)(=O)c1ccc(Cl)c(c1)S(Cl)(=O)=O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- WGK Germany
Safety & regulation
Safety data
- wgk
- WGK 3
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Suppliers2 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
1 records
Compound notes
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