Basic information
- CAS
3112-90-1- Standard SMILES
CS(=O)(=O)Cc1ccccc1- InChIKey
BEARMXYKACECDH-UHFFFAOYSA-N- Molecular formula
- C8H10O2S
- Average molar mass
- 170.23 g/mol
- Monoisotopic mass
- 170.04015073
Names & identifiers
- Preferred name
- alpha-(Methylsulphonyl)toluene
- IUPAC
- methylsulfonylmethylbenzene
- English name
- Benzyl methyl sulfone
- Molecular formula
- C8H10O2S
- Molecular weight
- 170.23
Names & synonyms
3112-90-1((Methylsulfonyl)methyl)benzeneBenzene, [(methylsulfonyl)methyl]-[(Methylsulfonyl)methyl]benzenealpha-(Methylsulphonyl)tolueneBenzene, ((methylsulfonyl)methyl)-EINECS 221-478-9AI3-07278DTXSID20185060NSC 409406RefChem:555319DTXCID30107551
Show more names
methylbenzylsulfonesulfone,benzylmethylBenzyl methyl sulfone, 98+%
221-478-9Benzyl methyl sulfone(methanesulfonylmethyl)benzenebenzyl methyl sulphoneSulfone, benzyl methylmethylsulfonylmethylbenzeneMethyl benzyl sulfoneMFCD00025074
Database identifiers
- CAS
3112-90-1- PubChem CID
- 76562
- DTXSID
DTXSID20185060- UNII
- HPF4E6P6FJ
- EC Number
- 221-478-9
- Nikkaji
- J43.547C
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 195
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 124 °C · 124 °C
- Boiling point
- 334.81 °C · 334.81°C (rough estimate)
- Density
- 1.188 · 1.188±0.06 g/cm3(Predicted)
- BRN
- 1864579 · 1864579
- CAS DataBase Reference
- 3112 · 3112-90-1(CAS DataBase Reference)
- FDA UNII
- 4 E6P6FJ · HPF4E6P6FJ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
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)
Aggregated GHS information provided per 2 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
- 2930909899
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers28 total
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
北京融合创业科技有限公司+86-10-80447090 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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