Basic information
- CAS
680569-47-5- Standard SMILES
CS(=O)(=O)OCc1ccnc(Cl)c1- InChIKey
VJYPONLIUKSFEA-UHFFFAOYSA-N- Molecular formula
- C7H8ClNO3S
- Average molar mass
- 221.66 g/mol
- Monoisotopic mass
- 220.9913418
Names & identifiers
- Preferred name
- (2-Chloropyridin-4-yl)methyl methanesulfonate
- IUPAC
- (2-chloro-4-pyridinyl)methyl methanesulfonate
- English name
- Methanesulfonic acid 2-chloropyridin-4-ylmethyl ester
- Molecular formula
- C7H8ClNO3S
- Molecular weight
- 221.66
Names & synonyms
680569-47-5(2-chloropyridin-4-yl)methyl methanesulfonateMETHANESULFONICACID2-CHLOROPYRIDIN-4-YLMETHYLESTERSCHEMBL5793683DTXSID30700940VJYPONLIUKSFEA-UHFFFAOYSA-N(2-chloropyridin-4-yl)methyl methanesulphonatemethanesulfonic acid 2-chloro-pyridin-4-ylmethyl estermethansulfonic acid 2-chloro-pyridin-4-ylmethyl ester(2-chloropyridin-4-yl)methylmethanesulfonate4-Pyridinemethanol, 2-chloro-, 4-methanesulfonateMethanesulfonic acid 2-chloropyridin-4-ylmethyl ester
Show more names
METHANESULFONIC ACID 2-CHLOROPYRIDIN-4-YLMETHYL ESTER ISO 9001：2015 REACH
Database identifiers
- CAS
680569-47-5- PubChem CID
- 53436764
- DTXSID
DTXSID30700940
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Boiling point
- 414.5 · 414.5±35.0 °C(Predicted)
- Density
- 1.431 · 1.431±0.06 g/cm3(Predicted)
- pka
- -0.08 · -0.08±0.10(Predicted)
Chemistry & industry
Suppliers3 total
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
Related reactions
3 records
Compound notes
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