Basic information
- CAS
26717-84-0- Standard SMILES
CCOC(=O)C=C(OC)C(F)(F)F- InChIKey
WLLCYFXBJYFXQQ-UHFFFAOYSA-N- Molecular formula
- C7H9F3O3
- Average molar mass
- 198.14 g/mol
Names & identifiers
- Preferred name
- 3-Methoxy-4,4,4-trifluoro-2-butenoic acid ethyl ester
- IUPAC
- ethyl 4,4,4-trifluoro-3-methoxybut-2-enoate
- English name
- Ethyl 3-methoxy-4,4,4-trifluoro-2-butenoate
- Molecular formula
- C7H9F3O3
- Molecular weight
- 198.14
Names & synonyms
26717-84-03-methoxy-4,4,4-trifluoro-2-butenoic acid ethyl esterRefChem:503108675-246-0Ethyl 3-Methoxy-4,4,4-trifluoro-2-butenoateEthyl (Z)-4,4,4-trifluoro-3-methoxy-but-2-enoateEthyl 3-methoxy-3-trifluoromethylacrylateSCHEMBL5212449ethyl 3-methoxy-4,4,4-trifluoro-2-buteneoateethyl 4,4,4-trifluoro-3-methoxy-but-2-enoate4,4,4-Trifluoro-3-methoxy-but-2-enoic acid ethyl ester4-(Methanesulfonyl)ethylsuccinimidyl
Show more names
ETHYL 4,4,4-TRIFLUORO-3-METHOXYBUT-2-ENOATEEthyl 4,4,4-trifluoro-3-methoxy-2-butenoateethyl (E/Z)-4,4,4-trifIuoro-3-methoxybut-2-enoate3-METHOXY-4,4,4-TRIFLUOROCROTONIC ACID ETHYL ESTER2-BUTENOIC ACID, 4,4,4-TRIFLUORO-3-METHOXY-, ETHYL ESTER(Z)-4,4,4-trifluoro-3-methoxy-2-butenoic acid ethyl ester2-Butenoicacid,4,4,4-trifluoro-3-methoxy-,ethylester,(2E)-
Database identifiers
- CAS
26717-84-0- PubChem CID
- 2758867
- EC Number
- 675-246-0
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 48 °C · 48 °C
- Density
- 1.21 · 1.210±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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 29 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers16 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
杭州莱晟生物科技有限公司13456210265 · [email protected]
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
上海诚合医药科技有限公司021-021-54382182 18601603956 · [email protected]
Coresyn Pharmatech Co., Ltd.+86-571-86626709 +86-18157142896 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
河北药成医药科技有限责任公司19903117580 19903117510 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
17 records
Compound notes
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