Methyl 4-chlorobenzenesulfonate
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Basic information
- CAS
15481-45-5- Standard SMILES
COS(=O)(=O)c1ccc(Cl)cc1- InChIKey
VQFKYAZZFFNYQV-UHFFFAOYSA-N- Molecular formula
- C7H7ClO3S
- Average molar mass
- 206.65 g/mol
- Monoisotopic mass
- 205.9804429
Names & identifiers
- Preferred name
- Methyl 4-chlorobenzenesulfonate
- IUPAC
- methyl 4-chlorobenzenesulfonate
- English name
- 4-Chlorobenzene-sulfonmethyl-ester
- Molecular formula
- C7H7ClO3S
- Molecular weight
- 206.65
Names & synonyms
methyl 4-chlorobenzenesulfonate15481-45-54-Chlorobenzene-sulfonmethyl-esterMethyl p-chlorobenzenesulfonatemethyl 4-chlorobenzene-1-sulfonateBenzenesulfonic acid, p-chloro-, methyl esterMFCD16620612Benzenesulfonic acid, 4-chloro-, methyl esterMethyl4-chlorobenzenesulfonateChlorfensonImpurity1FWA6JSA9N8SCHEMBL197599
Show more names
4-chlorobenzenesulfonylacidmethyl ester
SCHEMBL1985748DTXSID70165731QAA48145AKOS015890612AS-78285D93386EN300-7863813F844064
Database identifiers
- CAS
15481-45-5- PubChem CID
- 167290
- DTXSID
DTXSID70165731- UNII
- FWA6JSA9N8
- EC Number
- 875-698-0
- Nikkaji
- J259.300I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Boiling point
- 298 ℃ · 298℃
- Density
- 1.382 · 1.382
- Flash point
- 134 ℃ · 134℃
- storage temp.
- 2 · 2-8°C
- Appearance
- White to off-white Solid
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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