3-bromo-1,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
Basic information
- CAS
1782858-86-9- Standard SMILES
Cc1c(S(=O)(=O)Cl)c(Br)nn1C- InChIKey
PQOGBJMHAKVEMO-UHFFFAOYSA-N- Molecular formula
- C5H6BrClN2O2S
- Average molar mass
- 273.54 g/mol
- Monoisotopic mass
- 271.90219
Names & identifiers
- Preferred name
- 3-bromo-1,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
- IUPAC
- 3-bromo-1,5-dimethylpyrazole-4-sulfonyl chloride
Names & synonyms
3-bromo-1,5-dimethyl-1H-pyrazole-4-sulfonyl chloride1782858-86-9RefChem:498146977-159-63-Bromo-1,5-dimethylpyrazole-4-sulfonyl chlorideEN300-221174
Database identifiers
- CAS
1782858-86-9- PubChem CID
- 84032398
- EC Number
- 977-159-6
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 265
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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