Basic information
- CAS
122135-83-5- Standard SMILES
CCOC(=O)C1=C(OS(=O)(=O)C(F)(F)F)CCCC1- InChIKey
VWIUHGUFSGOXDX-UHFFFAOYSA-N- Molecular formula
- C10H13F3O5S
- Average molar mass
- 302.27 g/mol
- Monoisotopic mass
- 302.04357917
Names & identifiers
- Preferred name
- Ethyl 2-(trifluoromethanesulfonyloxy)cyclohex-1-ene-1-carboxylate
- IUPAC
- ethyl 2-(trifluoromethylsulfonyloxy)cyclohexene-1-carboxylate
- English name
- ETHYL 2-(TRIFLUOROMETHYL SULFONYLOXY)-1-CYCLOHEXENE-1-CARBOXYLATE
- Molecular formula
- C10H13F3O5S
- Molecular weight
- 302.27
Names & synonyms
ethyl 2-(trifluoromethanesulfonyloxy)cyclohex-1-ene-1-carboxylateRefChem:594055672-389-0122135-83-5Ethyl 2-(((trifluoromethyl)sulfonyl)oxy)cyclohex-1-enecarboxylateEthyl 2-(trifluoromethyl sulfonyloxy)-1-cyclohenxene-1-carboxylateethyl 2-(trifluoromethylsulfonyloxy)cyclohexene-1-carboxylateMFCD00798197NSC698179ethyl 2-(trifluoromethyl sulfonyloxy)-1-cyclohexene-1-carboxylateethyl 2-{[(trifluoromethyl)sulfonyl]oxy}cyclohex-1-ene-1-carboxylateethyl 2-(trifluoromethylsulfonyloxy)cyclohex-1-enecarboxylate
Show more names
Ethyl 2-(trifluoromethylsulfonyloxy)-1-cyclohexeneEthyl 2-trifluoromethanesulfonyloxycyclohex-1-enecarboxylateETHYL 2-(TRIFLUOROMETHYL SULFONYLOXY) CYCLOHEXENE-1-CARBOXYLATEEthyl2-(trifuloromethylsulfonyloxy)-1-cyclohenxene-1-carboxylate
DTXSID303278732-trifluoromethanesulfonyloxy-cyclohex-1-enecarboxylic acid ethyl esterAKOS0159112202-(ethoxycarbonyl)-1-cyclohexenyl triflate1-Cyclohexene-1-carboxylic acid, 2-[[(trifluoromethyl)sulfonyl]oxy]-, ethyl esterethyl 2-(trifluoromethylsulfonyloxy)-1-cyclohexene-1-carboxylateEthyl2-(((trifluoromethyl)sulfonyl)oxy)cyclohex-1-ene-1-carboxylateethyl 2-(((trifluoromethyl)sulfonyl)oxy)cyclohex-1-ene-1-carboxylate
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 472
Physicochemical properties
- Boiling point
- 326.9 · 326.9±42.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesEthyl 2-(Trifluoromethyl sulfonyloxy)-1-cyclohenxene-1-carboxylate is a useful building block in organic synthesis.
Suppliers32 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
南京迪恩赛尔生物科技有限公司19951952469 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
Related reactions
8 records
Compound notes
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