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Basic information
- CAS
66998-67-2- Standard SMILES
O=S(=O)(CCCl)Cc1ccccc1- InChIKey
CKNUUVURUUCDGT-UHFFFAOYSA-N- Molecular formula
- C9H11ClO2S
- Average molar mass
- 218.7 g/mol
- Monoisotopic mass
- 218.01682827
Names & identifiers
- Preferred name
- (((2-Chloroethyl)sulfonyl)methyl)benzene
- IUPAC
- 2-chloroethylsulfonylmethylbenzene
Names & synonyms
66998-67-2[(2-chloroethanesulfonyl)methyl]benzene(((2-Chloroethyl)sulfonyl)methyl)benzene2-benzylsulfonylethyl chloride(((2-Chloroethyl)sulphonyl)methyl)benzeneVH2M64G864EINECS 266-535-9NSC-202555DTXSID80217194BENZYL-2-CHLOROETHYLSULFONESULFONE, BENZYL 2-CHLOROETHYLNSC 202555
Show more names
[[(2-Chloroethyl)sulfonyl]methyl]benzeneBenzene, [[(2-chloroethyl)sulfonyl]methyl]-((2-CHLOROETHANESULFONYL)METHYL)BENZENE1-(((2-CHLOROETHYL)SULFONYL)METHYL)BENZENEBENZENE, (((2-CHLOROETHYL)SULFONYL)METHYL)-[[(2-CHLOROETHYL)SULPHONYL]METHYL]BENZENERefChem:389397DTXCID80139685
Database identifiers
- CAS
66998-67-2- PubChem CID
- 99230
- DTXSID
DTXSID80217194- UNII
- VH2M64G864
- EC Number
- 266-535-9
- Nikkaji
- J310.178I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 224
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
5 records
Compound notes
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