Basic information
- CAS
4703-22-4- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1- InChIKey
IGWGXOHABPCPHZ-UHFFFAOYSA-N- Molecular formula
- C12H17NO2S
- Average molar mass
- 239.34 g/mol
- Monoisotopic mass
- 239.09799996
Names & identifiers
- Preferred name
- Piperidine, 1-(p-tolylsulfonyl)-
- IUPAC
- 1-(4-methylphenyl)sulfonylpiperidine
- English name
- 1-[(4-methylphenyl)sulfonyl]piperidine
- Molecular formula
- C12H17NO2S
- Molecular weight
- 239.33
Names & synonyms
4703-22-41-[(4-Methylphenyl)sulfonyl]piperidine1-(p-Tolylsulfonyl)piperidinePiperidine, 1-(p-tolylsulfonyl)-N-(p-Tolylsulfonyl)piperidineAI3-30839Piperidine, 1-((4-methylphenyl)sulfonyl)-NSC 14853BRN 0196296N-P-TOSYLPIPERIDINE1-((4-Methylphenyl)sulfonyl)piperidinePiperidine, 1-[(4-methylphenyl)sulfonyl]-
Show more names
4-Methylphenylpiperidino sulfonePiperidino(4-methylphenyl) sulfone
DTXSID201970075-20-03-00493 (Beilstein Handbook Reference)RefChem:863506DTXCID90119498661-061-21-tosylpiperidineNSC148531-(4-methylbenzenesulfonyl)piperidine
Database identifiers
- CAS
4703-22-4- PubChem CID
- 78431
- DTXSID
DTXSID20197007- ChEMBL
CHEMBL1900057- UNII
- C2GEE5UUR6
- EC Number
- 661-061-2
- Nikkaji
- J123.431E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 306
Experimental & physicochemical properties
Solubility20 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 98 °C · 98 °C
- Boiling point
- 368.2 · 368.2±35.0 °C(Predicted)
- Density
- 1.19 · 1.190±0.06 g/cm3(Predicted)
- pka
- -4.51 · -4.51±0.20(Predicted)
- FDA UNII
- 2 GEE5UUR6 · C2GEE5UUR6
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers13 total
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
陕西爱施达尔生物科技有限公司18682931470; 18682931470 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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