Basic information
- CAS
2384522-64-7- Standard SMILES
Cn1ncc(S(=O)(=O)Cl)c1CCl- InChIKey
AYSYMRGCYALSJK-UHFFFAOYSA-N- Molecular formula
- C5H6Cl2N2O2S
- Average molar mass
- 229.08 g/mol
- Monoisotopic mass
- 227.952704
Names & identifiers
- Preferred name
- 5-(chloromethyl)-1-methyl-1H-pyrazole-4-sulfonyl chloride
- IUPAC
- 5-(chloromethyl)-1-methylpyrazole-4-sulfonyl chloride
Names & synonyms
2384522-64-75-(chloromethyl)-1-methyl-1H-pyrazole-4-sulfonyl chlorideRefChem:530933979-374-05-(Chloromethyl)-1-methylpyrazole-4-sulfonyl chloride5-(chloromethyl)-1-methyl-1H-pyrazole-4-sulfonylchlorideEN300-7432301
Database identifiers
- CAS
2384522-64-7- PubChem CID
- 145915744
- EC Number
- 979-374-0
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 251
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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