5-(chloromethyl)-1-methyl-1H-pyrazole-4-sulfonamide
Basic information
- CAS
2551120-29-5- Standard SMILES
Cn1ncc(S(N)(=O)=O)c1CCl- InChIKey
ZPVBIIIIBNWHQA-UHFFFAOYSA-N- Molecular formula
- C5H8ClN3O2S
- Average molar mass
- 209.66 g/mol
- Monoisotopic mass
- 209.0025754
Names & identifiers
- Preferred name
- 5-(chloromethyl)-1-methyl-1H-pyrazole-4-sulfonamide
- IUPAC
- 5-(chloromethyl)-1-methylpyrazole-4-sulfonamide
Names & synonyms
2551120-29-55-(chloromethyl)-1-methyl-1H-pyrazole-4-sulfonamideRefChem:530932101-260-95-(Chloromethyl)-1-methylpyrazole-4-sulfonamideEN300-26621911
Database identifiers
- CAS
2551120-29-5- PubChem CID
- 154809672
- EC Number
- 101-260-9
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 250
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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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