Basic information
- CAS
3516-87-8- Standard SMILES
CCOC(=O)CC(=O)c1c(F)c(F)c(F)c(F)c1F- InChIKey
SFYYMUUQGSQVFT-UHFFFAOYSA-N- Molecular formula
- C11H7F5O3
- Average molar mass
- 282.16 g/mol
- Monoisotopic mass
- 282.03153518
Names & identifiers
- Preferred name
- Ethyl (pentafluorobenzoyl)acetate
- IUPAC
- ethyl 3-oxo-3-(2,3,4,5,6-pentafluorophenyl)propanoate
- English name
- Ethyl (pentafluorobenzoyl)acetate
- Molecular formula
- C11H7F5O3
- Molecular weight
- 282.16
Names & synonyms
Ethyl (pentafluorobenzoyl)acetate3516-87-8DTXSID90375077RefChem:341839DTXCID50326106621-882-9Ethyl 3-oxo-3-(perfluorophenyl)propanoate3-oxo-3-pentafluorophenylpropionic acid ethyl esterMFCD00192163ethyl 3-oxo-3-(2,3,4,5,6-pentafluorophenyl)propanoateethyl pentafluorobenzoylacetateethyl 3-oxo-3-(pentafluorophenyl)propanoate
Show more names
Ethyl(pentafluorobenzoyl)acetate98%Ethyl (pentafluorobenzoyl)acetate 98%Ethyl 3-oxo-3-(pentafluorophenyl)propanoate 98%Ethyl 2,3,4,5,6-pentafluoro-β-oxobenzenepropanoate2-[oxo-(2,3,4,5,6-pentafluorophenyl)methyl]butanoateethyl ester 2,3,4,5,6-pentafluoro-oxo-Benzenepropanoic acid
ethyl 2,3,4,5,6-pentafluorobenzoylacetateSCHEMBL1186761SFYYMUUQGSQVFT-UHFFFAOYSA-N3-OXO-3-PENTAFLUOROPHENYL-PROPIONIC ACID ETHYL ESTERSBB063749AKOS007930392BS-42407SY016120
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Boiling point
- 103 · 103-104 °C4 mm Hg(lit.)
- Density
- 1.43 g/mL · 1.43 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.464(lit.)
- Flash point
- 105 °F · 105 °F
- storage temp.
- Refrigerator
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Oil
- pka
- 10.69 · 10.69±0.50(Predicted)
- color
- Colourless
- CAS DataBase Reference
- 3516 · 3516-87-8(CAS DataBase Reference)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280-P210
- Hazard Codes
- Xn,Xi
- Risk Statements
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
H226 (97.5%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (97.5%)
Safety data
- wgk
- 3
- ridadr
- UN 3272 3/PG 3
- hs_code
- 2918300090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H226-H302+H312+H332-H315-H319-H335
- Precautionary statements
- P280-P210
Chemistry & industry
Suppliers48 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
常州新氟化学有限公司13275212658 · [email protected]
青岛融合融化学科技有限公司15224422002
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Jinan Liheng Biotechnology Co., Ltd.15865262812 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
杭州东帆化学有限公司86-0571-85151182
Related reactions
13 records
Compound notes
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