Basic information
- CAS
3112-88-7- Standard SMILES
O=S(=O)(Cc1ccccc1)c1ccccc1- InChIKey
FABCMLOTUSCWOR-UHFFFAOYSA-N- Molecular formula
- C13H12O2S
- Average molar mass
- 232.3 g/mol
- Monoisotopic mass
- 232.05580079
Names & identifiers
- Preferred name
- Benzene, ((phenylmethyl)sulfonyl)-,
- IUPAC
- benzenesulfonylmethylbenzene
- English name
- Benzyl phenyl sulfone
- Molecular formula
- C13H12O2S
- Molecular weight
- 232.3
Names & synonyms
3112-88-7Phenyl benzyl sulfoneSulfone, benzyl phenyl((Phenylmethyl)sulfonyl)benzeneEINECS 221-477-3AI3-08944((Phenylmethyl)sulphonyl)benzeneBenzene, ((phenylmethyl)sulfonyl)-,NSC 15407BRN 2049938DTXSID10185059[(Phenylmethyl)sulfonyl]benzene
Show more names
(Benzylsulfonyl)Benzy Pheny SulfonephenylbenzylsulfoneBENZYL PHENYL SULFONsulfone,benzylphenylBENZYL PHENYL SULPHONEBenzylsulfonyl-benzene
[(phenylmethyl)sulphonyl]benzeneBenzene, ((phenylmethyl)sulfonyl)-, (9CI)4-06-00-02647 (Beilstein Handbook Reference)RefChem:562056DTXCID70107550221-477-3Benzyl phenyl sulfone(benzylsulfonyl)benzene
Database identifiers
- CAS
3112-88-7- PubChem CID
- 76561
- DTXSID
DTXSID10185059- ChEMBL
CHEMBL189988- UNII
- 33EH6K4PRB
- EC Number
- 221-477-3
- Nikkaji
- J49.542E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 290
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP2.05
Physicochemical properties
- Melting point
- 146 · 146-150 °C
- Boiling point
- 344.47 °C · 344.47°C (rough estimate)
- Density
- 1.2321 · 1.2321 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- Crystalline Powder
- color
- Off-white
- BRN
- 2049938 · 2049938
- CAS DataBase Reference
- 3112 · 3112-88-7(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 33 EH6K4PRB · 33EH6K4PRB
- Symbol(GHS)
- 7 · GHS07
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%)
Safety data
- rtecs
- WR2700000
- hs_code
- 29041000
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36/37/39-26
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers63 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [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]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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