Basic information
- CAS
38768-08-0- Standard SMILES
Cc1ccc(S(=O)(=O)Oc2cccccc2=O)cc1- InChIKey
AWUMFQREGHLKJB-UHFFFAOYSA-N- Molecular formula
- C14H12O4S
- Average molar mass
- 276.31 g/mol
- Monoisotopic mass
- 276.04562986
Names & identifiers
- Preferred name
- Tropolone Tosylate
- IUPAC
- (7-oxocyclohepta-1,3,5-trien-1-yl) 4-methylbenzenesulfonate
- English name
- TROPOLONE TOSYLATE
- Molecular formula
- C14H12O4S
- Molecular weight
- 276.31
Names & synonyms
Tropolone Tosylate38768-08-0DTXSID30340249RefChem:386789DTXCID00291330803-948-07-Oxocyclohepta-1,3,5-trien-1-yl 4-methylbenzenesulfonate2-TosyloxytroponeMFCD00671574(7-oxocyclohepta-1,3,5-trien-1-yl) 4-methylbenzenesulfonate7-oxocyclohepta-1,3,5-trien-1-yl 4-methylbenzene-1-sulfonateCHEMBL6148461
Show more names
2-p-Toluenesulfonyloxycycloheptatrienone4-methoxybenzoic acid (4-hexoxyphenyl) ester2-Toluenesulfonyloxytropone 2-Tosyloxytropone2-[[(4-Methylphenyl)sulfonyl]oxy]-2,4,6-cycloheptatrien-1-one2,4,6-Cycloheptatrien-1-one, 2-[[(4-methylphenyl)sulfonyl]oxy]-
DS-176552-(Tosyloxy)-2,4,6-cycloheptatrien-1-one2-Toluenesulfonyloxytropone7-Oxocyclohepta-1,3,5-trien-1-yl4-methylbenzenesulfonate7-Oxo-1,3,5-cycloheptatrien-1-yl 4-methylbenzenesulfonate #7-Oxo-1,3,5-cycloheptatrienyl p-toluenesulfonateSCHEMBL2474943BDBM50665286
Database identifiers
- CAS
38768-08-0- PubChem CID
- 562886
- DTXSID
DTXSID30340249- ChEMBL
CHEMBL6148461- EC Number
- 803-948-0
- Nikkaji
- J1.288.993C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 526
Physicochemical properties
- Melting point
- 160 °C · 160 °C
- Boiling point
- 473.8 · 473.8±45.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Orange to Green
- Symbol(GHS)
- 5 · GHS05,GHS08
- Signal word
- Danger
- Hazard statements
- 314 · H314-H317-H334
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- HS Code
- 2914.5 · 2914.50.3000
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (97.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P233, P260, P261, P264, P271, P272, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P342+P316, P362+P364, P363, P403, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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 Corr. 1B (97.5%)
Safety data
- hs_code
- 2914.50.3000
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS08
- Hazard statements
- H314-H317-H334
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Applications
UsesTropolone Tosylate is used in preparation method of purification material for L-piperidinecarboxylic acid with good adsorption effect.
Upstream & downstream products
Downstream products
Suppliers89 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
河南萨克斯生物科技有限公司13803717460 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
北京阿克曼科技有限公司18001219251
Related reactions
3 records
Compound notes
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