Basic information
- CAS
25595-59-9- Standard SMILES
O=S1(=O)OC(Cl)c2ccccc21- InChIKey
LNWUNIOANJTGPG-UHFFFAOYSA-N- Molecular formula
- C7H5ClO3S
- Average molar mass
- 204.63 g/mol
- Monoisotopic mass
- 203.9647929
Names & identifiers
- Preferred name
- alpha-Chloro-alpha,2-toluenesultone
- IUPAC
- 3-chloro-3H-2,1λ6-benzoxathiole 1,1-dioxide
- English name
- 3-Chloro-3H-2,1-benzoxathiole-1,1-dioxide
- Molecular formula
- C7H5ClO3S
- Molecular weight
- 204.63
Names & synonyms
25595-59-9alpha-Chloro-alpha,2-toluenesultoneEINECS 247-122-2DTXSID501217514NSC 111931RefChem:555443DTXCID101648838alpha-Chloro-alpha-hydroxy-o-toluene sulfonic acid gamma-sultone247-122-23-CHLORO-3H-2,1-BENZOXATHIOLE-1,1-DIOXIDE3-chloro-3H-2,1lambda6-benzoxathiole 1,1-dioxide3-chloro-3H-benzo[c]1,2-oxathiolene-1,1-dione
Show more names
gamma-SultoneLABOTEST-BB LT004408673-Chlorobenzisoxathiole-1,1-dioxidebenzo(c)-5H-1,2-oxathiole 2,2-dioxideALPHA-CHLORO-ALPHA-HYDROXY-ORTHO-TOLUEN&3H-2,1-Benzoxathiole, 3-chloro-, 1,1-dioxidealpha-chloro,alpha-hydroxy-o-toluenesulfonic acidalpha-chloro-alpha-hydroxy-ortho-toluene-sulfonic
NSC111931SCHEMBL10231783SBB057542AKOS015889303NSC-111931DB-046737NS00053471ST50308507
Database identifiers
- CAS
25595-59-9- PubChem CID
- 98353
- DTXSID
DTXSID501217514- EC Number
- 247-122-2
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Melting point
- 114 · 114-116 °C(lit.)
- Density
- 1.4581 · 1.4581 (estimate)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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