1-(Oxolan-3-yl)-1H-pyrazole-5-sulfonyl chloride
Basic information
- CAS
1785096-99-2- Standard SMILES
O=S(=O)(Cl)c1ccnn1C1CCOC1- InChIKey
RQRTVRFIGNMYFS-UHFFFAOYSA-N- Molecular formula
- C7H9ClN2O3S
- Average molar mass
- 236.68 g/mol
- Monoisotopic mass
- 236.002241
Names & identifiers
- Preferred name
- 1-(Oxolan-3-yl)-1H-pyrazole-5-sulfonyl chloride
- IUPAC
- 2-(oxolan-3-yl)pyrazole-3-sulfonyl chloride
Names & synonyms
1-(Oxolan-3-yl)-1H-pyrazole-5-sulfonyl chloride1785096-99-21-(Oxolan-3-yl)-1H-pyrazole-5-sulfonylchlorideEN300-1614242
Database identifiers
- CAS
1785096-99-2- PubChem CID
- 84736622
- EC Number
- 170-594-5
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 303
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
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Compound notes
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