1-Isobutyl-5-methyl-1H-pyrazole-4-sulfonyl chloride
Basic information
- CAS
1006496-01-0- Standard SMILES
Cc1c(S(=O)(=O)Cl)cnn1CC(C)C- InChIKey
NJONIMLYPRNDNV-UHFFFAOYSA-N- Molecular formula
- C8H13ClN2O2S
- Average molar mass
- 236.72 g/mol
- Monoisotopic mass
- 236.0386265
Names & identifiers
- Preferred name
- 1-Isobutyl-5-methyl-1H-pyrazole-4-sulfonyl chloride
- IUPAC
- 5-methyl-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride
- English name
- 1-isobutyl-5-methyl-1H-pyrazole-4-sulfonyl chloride
- Molecular formula
- C8H13ClN2O2S
- Molecular weight
- 236.72
Names & synonyms
1006496-01-01-ISOBUTYL-5-METHYL-1H-PYRAZOLE-4-SULFONYL CHLORIDE1-isobutyl-5-methyl-pyrazole-4-sulfonyl chloride5-methyl-1-(2-methylpropyl)pyrazole-4-sulfonyl chlorideMFCD068054615-methyl-1-(2-methylpropyl)-1H-pyrazole-4-sulfonyl chlorideSBB022979AKOS000309447CS-0240840EN300-230252chloro[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]sulfone1-ISOBUTYL-5-METHYL-1H-PYRAZOLE-4-SULFONYLCHLORIDE
Show more names
1H-Pyrazole-4-sulfonyl chloride, 5-methyl-1-(2-methylpropyl)-
Database identifiers
- CAS
1006496-01-0- PubChem CID
- 19620107
- EC Number
- 175-548-8
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
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%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302-H314
- Precautionary statements
- P280-P305+P351+P338-P310
Suppliers
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Related reactions
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Compound notes
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