Basic information
- CAS
7569-34-8- Standard SMILES
CCS(=O)(=O)c1ccc(C)cc1- InChIKey
XBZQMVYXYKDYPA-UHFFFAOYSA-N- Molecular formula
- C9H12O2S
- Average molar mass
- 184.26 g/mol
- Monoisotopic mass
- 184.05580079
Names & identifiers
- Preferred name
- 1-(Ethylsulfonyl)-4-methylbenzene
- IUPAC
- 1-ethylsulfonyl-4-methylbenzene
- English name
- 1-ethylsulfonyl-4-methyl-benzene
- Molecular formula
- C9H12O2S
- Molecular weight
- 184.26
Names & synonyms
7569-34-81-(ethylsulfonyl)-4-methylbenzeneEthyl p-tolyl sulfoneSulfone, ethyl p-tolylBenzene, 1-(ethylsulfonyl)-4-methyl-US48EZ4X2ENSC-140243DTXSID80226600RefChem:1054687DTXCID701490911-(ethanesulfonyl)-4-methylbenzene1-ethylsulfonyl-4-methylbenzene
Show more names
bempedoic acid ImpurityETC-1002 Impurity 3p-Tolylethyl sulfoneEthyl(p-tolyl) sulfone4-Methylphenylethyl sulfoneETC-1002 Impurity 3(Bempedoic Acid Impurity 1)
1-ETHYLSULFONYL-4-METHYL-BENZENE1-ethanesulfonyl-4-methyl-benzeneNSC 140243BRN 1945075UNII-US48EZ4X2ESCHEMBL7865SCHEMBL860884-06-00-02156 (Beilstein Handbook Reference)
Database identifiers
- CAS
7569-34-8- PubChem CID
- 97651
- DTXSID
DTXSID80226600- ChEMBL
CHEMBL5170937- UNII
- US48EZ4X2E
- Nikkaji
- J48.754F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 217
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 57 °C · 57 °C
- Boiling point
- 75 · 75-76 °C(Press: 0.05 Torr)
- Density
- 1.123 · 1.123±0.06 g/cm3(Predicted)
- FDA UNII
- 48 EZ4X2E · US48EZ4X2E
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers30 total
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
安那莱（齐河）新材料科技有限公司
Related reactions
1 records
Compound notes
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