Basic information
- CAS
31378-03-7- Standard SMILES
Cc1ccc(S(=O)(=O)CC(=O)c2ccccc2)cc1- InChIKey
RFQXSRPFYWMUDV-UHFFFAOYSA-N- Molecular formula
- C15H14O3S
- Average molar mass
- 274.3 g/mol
- Monoisotopic mass
- 274.06636548
Names & identifiers
- Preferred name
- 2-((4-Methylphenyl)sulphonyl)-1-phenylethan-1-one
- IUPAC
- 2-(4-methylphenyl)sulfonyl-1-phenylethanone
- English name
- 2-(P-TOLUENESULFONYL)ACETOPHENONE
- Molecular formula
- C15H14O3S
- Molecular weight
- 274.33
Names & synonyms
EINECS 250-605-0NSC 1403382-((4-Methylphenyl)sulphonyl)-1-phenylethan-1-oneDTXSID401853052-[(4-methylphenyl)sulphonyl]-1-phenylethan-1-oneRefChem:449299DTXCID10107796250-605-031378-03-71-phenyl-2-tosylethanone2-(p-Toluenesulfonyl)acetophenone1-phenyl-2-tosylethan-1-one
Show more names
2-[(4-Methylphenyl)sLABOTEST-BB LT00454071Phenacyl p-tolyl sulfonep-Tolyl phenacyl sulfoneToluenesulfonylacetophenone4-Methylphenyl phenacyl sulfone(p-Tolylsulfonyl)benzoylmethaneα-(p-Tolylsulfonyl)acetophenone
2-(p-Tolylsulfonyl)acetophenone2-(4-Toluenesulphonyl)acetophenone2-(4-methylphenyl)sulfonyl-1-phenylethanone2-[(4-Methylphenyl)sulfonyl]-1-phenylethanoneMFCD000260022-(4-methylbenzenesulfonyl)-1-phenylethan-1-oneA-(4-Toluenesulfonyl)acetophenone.alpha.-(p-Tolylsulfonyl)acetophenone
Database identifiers
- CAS
31378-03-7
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 394
Physicochemical properties
- Melting point
- 109 °C · 109 °C
- Boiling point
- 478.1 · 478.1±45.0 °C(Predicted)
- Density
- 1.227 · 1.227±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Orange to Green
- CAS DataBase Reference
- 31378 · 31378-03-7(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- Hazard Note
- Irritant
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2914790090
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26
- Hazard statements
- H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Suppliers44 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
北京泰亚杰科技有限公司021-33690831-8001 13552411790;18616022633 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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