Basic information
- CAS
69982-18-9- Standard SMILES
CCc1n[nH]c(CC)c1CCCCCCOc1ccc(OC)cc1Cl.CS(=O)(=O)O- InChIKey
XLPNGUGQMKKKDG-UHFFFAOYSA-N- Molecular formula
- C21H33ClN2O5S
- Average molar mass
- 461 g/mol
- Monoisotopic mass
- 460.179871
Names & identifiers
- Preferred name
- 1H-Pyrazole, 4-(6-(2-chloro-4-methoxyphenoxy)hexyl)-3,5-diethyl-, monomethanesulfonate
- IUPAC
- 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1H-pyrazole;methanesulfonic acid
- English name
- Win-41258-3
- Molecular formula
- C21H33ClN2O5S
- Molecular weight
- 461.01512
Names & synonyms
69982-18-91H-Pyrazole, 4-(6-(2-chloro-4-methoxyphenoxy)hexyl)-3,5-diethyl-, monomethanesulfonate4-(6-(2-Chloro-4-methoxyphenoxy)hexyl)-3,5-diethyl-1H-pyrazole methanesulfonateNSC357705NSC-3577054-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1H-pyrazole methanesulfonateNSC 357705HX99TLK8DFCHEMBL163529SCHEMBL11406545DTXSID80220249AKOS024422547
Show more names
4-(6-(2-CL-4-METHOXY-PHENOXY)-HEXYL)-3,5-DIETHYL-1H-PYRAZOLE, MESYLATE
4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1H-pyrazole;methanesulfonic acid1H-Pyrazole, 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-, methanesulfonate (1:1)4-[6-(2-chloro-4-methoxy-phenoxy)hexyl]-3,5-diethyl-1H-pyrazole; methanesulfonic acidMethanesulfonic acid--4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1H-pyrazole (1/1)
Database identifiers
- CAS
69982-18-9- PubChem CID
- 155446
Properties
Computed structural properties
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 451
Physicochemical properties
- FDA UNII
- 99 TLK8DF · HX99TLK8DF
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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 CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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