ethyl 5-(chlorosulfonyl)-1H-pyrazole-4-carboxylate
Basic information
- CAS
115703-22-5- Standard SMILES
CCOC(=O)c1cn[nH]c1S(=O)(=O)Cl- InChIKey
LEQLXEAEARQQJL-UHFFFAOYSA-N- Molecular formula
- C6H7ClN2O4S
- Average molar mass
- 238.65 g/mol
- Monoisotopic mass
- 237.9815056
Names & identifiers
- Preferred name
- ethyl 5-(chlorosulfonyl)-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 5-chlorosulfonyl-1H-pyrazole-4-carboxylate
- English name
- Ethyl 5-(chlorosulfonyl)-1H-pyrazole-4-carboxylate
- Molecular formula
- C6H7ClN2O4S
- Molecular weight
- 238.65
Names & synonyms
ethyl 5-(chlorosulfonyl)-1H-pyrazole-4-carboxylate115703-22-5RefChem:595593958-109-2ethyl 3-(chlorosulfonyl)-1H-pyrazole-4-carboxylateMFCD08691284ethyl 5-chlorosulfonyl-1H-pyrazole-4-carboxylateSCHEMBL230126641H-Pyrazole-4-carboxylic acid, 3-(chlorosulfonyl)-, ethyl esterQEA70322STL112416AKOS005738912
Show more names
3-chlorosulfonyl-1H-pyrazole-4-carboxylic acid ethyl ester
AT25769BS-3284SY169229CS-0527015EN300-26314ethyl5-(chlorosulfonyl)-1H-pyrazole-4-carboxylateZ2278301103-chlorosulfonyl-2H-pyrazole-4-carboxylic acid ethyl ester
Database identifiers
- CAS
115703-22-5- PubChem CID
- 9991817
- EC Number
- 958-109-2
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 97.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 312
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
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Related reactions
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Compound notes
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