Basic information
- CAS
56841-99-7- Standard SMILES
CS(=O)(=O)CC(=O)Cl- InChIKey
IEJXMQAMBLLVJU-UHFFFAOYSA-N- Molecular formula
- C3H5ClO3S
- Average molar mass
- 156.59 g/mol
- Monoisotopic mass
- 155.9647927
Names & identifiers
- Preferred name
- (Methanesulfonyl)acetyl chloride
- IUPAC
- 2-methylsulfonylacetyl chloride
- English name
- 2-(methyl sulfonyl)-Acetyl chloride
- Molecular formula
- C3H5ClO3S
- Molecular weight
- 156.59
Names & synonyms
56841-99-72-(Methylsulfonyl)acetyl chloride2-methylsulfonylacetyl chloride(Methanesulfonyl)acetyl chlorideAcetyl chloride, (methylsulfonyl)-Methylsulfonylacetyl chloridemethylsulphonylacetyl chlorideSCHEMBL561482(methylsulfonyl)acetyl chloride(Methanesulphonyl)acetyl chlorideDTXSID80612029IEJXMQAMBLLVJU-UHFFFAOYSA-N
Show more names
Methyl Sulfonyl Acetyl Chloride2-(methyl sulfonyl)-Acetyl chlorideAcetyl chloride, 2-(methylsulfonyl)-
MFCD19632277AKOS013334554F477767
Database identifiers
- CAS
56841-99-7- PubChem CID
- 21288095
- DTXSID
DTXSID80612029
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Boiling point
- 305.6 · 305.6±25.0 °C(Predicted)
- Density
- 1.455 · 1.455±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers5 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
南京新瑞医药科技有限公司19850079587 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
都创（上海）医药科技股份有限公司021-58099077-8041 18601625411 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
Related reactions
4 records
Compound notes
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