1-ethyl-1H-pyrazole-4-sulfonyl chloride
Basic information
- CAS
957514-21-5- Standard SMILES
CCn1cc(S(=O)(=O)Cl)cn1- InChIKey
GCPANMWERFHRFN-UHFFFAOYSA-N- Molecular formula
- C5H7ClN2O2S
- Average molar mass
- 194.64 g/mol
- Monoisotopic mass
- 193.9916763
Names & identifiers
- Preferred name
- 1-ethyl-1H-pyrazole-4-sulfonyl chloride
- IUPAC
- 1-ethylpyrazole-4-sulfonyl chloride
- English name
- 1-Ethyl-1H-pyrazole-4-sulfonyl chloride
- Molecular formula
- C5H7ClN2O2S
- Molecular weight
- 194.64
Names & synonyms
1-Ethyl-1H-pyrazole-4-sulfonyl chloride957514-21-5DTXSID30424492RefChem:230214DTXCID00375326857-187-41-ethylpyrazole-4-sulfonyl chlorideMFCD049686701-Ethyl-1H-pyrazole-4-sulfonylchloridechloro(1-ethylpyrazol-4-yl)sulfoneSCHEMBL2412147TIMTEC-BB SBB009409
Show more names
1H-Pyrazole-4-sulfonyl chloride, 1-ethyl-1-ethyl-1H-pyrazole-4-sulfonyl chloride(SALTDATA: FREE)
AKOS B017628GCPANMWERFHRFN-UHFFFAOYSA-NART-CHEM-BB B017628ALBB-000994BBL013063SBB009409STK312591AKOS000301918
Database identifiers
- CAS
957514-21-5- PubChem CID
- 6485337
- DTXSID
DTXSID30424492- EC Number
- 857-187-4
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P405-P501
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 36 · 36/37
- RIDADR
- 3265 · UN3265
- HazardClass
- IRRITANT
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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 CategoriesSkin Corr. 1B (100%)
Safety data
- ridadr
- UN3265
- risk_code
- 43
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 36/37
- hazard_class
- IRRITANT
- Hazard statements
- H314
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
1 records
Compound notes
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