Basic information
- CAS
50397-64-3- Standard SMILES
COC(=O)CS(=O)(=O)c1ccc(C)cc1- InChIKey
JMUZMDKWJWSBCU-UHFFFAOYSA-N- Molecular formula
- C10H12O4S
- Average molar mass
- 228.27 g/mol
- Monoisotopic mass
- 228.04563003
Names & identifiers
- Preferred name
- Methyl (4-methylbenzene-1-sulfonyl)acetate
- IUPAC
- methyl 2-(4-methylphenyl)sulfonylacetate
- English name
- Methyl p-toluenesulphonylacetate
- Molecular formula
- C10H12O4S
- Molecular weight
- 228.26
Names & synonyms
50397-64-3DTXSID00964653Methyl (4-methylbenzene-1-sulfonyl)acetateRefChem:1089203DTXCID601392345Methyl p-toluenesulfonylacetateMethyl 2-tosylacetatemethyl 2-(4-methylphenyl)sulfonylacetateMethyl [(4-methylphenyl)sulfonyl]acetatemethyl 2-(4-methylbenzenesulfonyl)acetateMFCD00025885Methyl (p-tolylsulfonyl)acetate
Show more names
BUTTPARK 62\04-222-Tosylacetic acid methyl esterMethyl p-toluenesulfonylacetate, 98+%p-Toluenesulfonylaceticacidmethylester(p-Tolylsulfonyl)acetic acid methyl esterp-Toluenesulphonylacetic acid methyl ester2-(4-methylphenyl)sulfonylacetic acid methyl ester
methyl 2-[(4-methylphenyl)sulfonyl]acetatemethyl 2-(p-tolylsulfonyl)acetateAcetic acid, [(4-methylphenyl)sulfonyl]-, methyl esterMETHYL P-TOLUENESULPHONYLACETATEMETHYL ((4-METHYLPHENYL)SULFONYL)ACETATEMLS000721133SCHEMBL4022229CHEMBL1570902
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Melting point
- 160 °C · 160 °C
- Boiling point
- 145 °C · 145 °C(Press: 0.1 Torr)
- Density
- 1.24 · 1.24
- refractive index
- 1.535 · 1.5350
- BRN
- 2112364 · 2112364
- CAS DataBase Reference
- 50397 · 50397-64-3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- Safety Statements
- 24 · 24/25
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
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers13 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [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]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
苏州麦凯尔生物医药科技有限公司15952441622 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [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]
DAYANG CHEM (HANGZHOU) CO.,LTD
Related reactions
2 records
Compound notes
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