Basic information
- CAS
4522-93-4- Standard SMILES
CCOC(=O)c1c(F)c(F)c(F)c(F)c1F- InChIKey
DFUDMSIRGGTHGI-UHFFFAOYSA-N- Molecular formula
- C9H5F5O2
- Average molar mass
- 240.13 g/mol
- Monoisotopic mass
- 240.02097021
Names & identifiers
- Preferred name
- Ethyl perfluorobenzoate
- IUPAC
- ethyl 2,3,4,5,6-pentafluorobenzoate
- English name
- Ethyl pentafluorobenzoate
- Molecular formula
- C9H5F5O2
- Molecular weight
- 240.13
Names & synonyms
4522-93-4Ethyl 2,3,4,5,6-pentafluorobenzoateEthyl perfluorobenzoateEINECS 224-854-0DTXSID20196439RefChem:596370DTXCID80118930224-854-0Ethyl pentafluorobenzoatePentafluorobenzoic Acid Ethyl EsterMFCD000392112,3,4,5,6-pentafluoro-benzoic acid ethyl ester
Show more names
RARECHEM AL BI 0017LABOTEST-BB LT00454186pentafluoroethyl benzoateEthylpentafluorobenzoate98%EthylPentafluorobenzoate>Ethyl pentafluorobenzoate 98%
Benzoic acid, pentafluoro-, ethyl esterPentafluorobenzoic acid, ethyl esterAKOS002723487FT-0635342SCHEMBL196046Perfluorobenzoic Acid Ethyl EsterSBB057886Benzoic acid, 2,3,4,5,6-pentafluor
Database identifiers
- CAS
4522-93-4- PubChem CID
- 78283
- DTXSID
DTXSID20196439- EC Number
- 224-854-0
- Nikkaji
- J205.892H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Boiling point
- 113 °C · 113 °C(lit.)
- Density
- 1.431 g/mL · 1.431 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.428(lit.)
- Flash point
- 177 °F · 177 °F
- storage temp.
- Store at room temperature
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 1.431 · 1.431
- BRN
- 2054770 · 2054770
- CAS DataBase Reference
- 4522 · 4522-93-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H315-H319-H335
- Precautionary statements
- 210 e-P261-P280a-P305+P351+P338-P405-P501a · P210e-P261-P280a-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi,F
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 45 reports by companies from 4 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
- wgk
- 3
- hs_code
- 29163100
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,F
- safety_code
- 26-36-37-23
- hazard_class
- FLAMMABLE
- Hazard statements
- H227-H315-H319-H335
- Precautionary statements
- P210e-P261-P280a-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers69 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [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]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
上海淖沁生物科技有限公司400-1125320 13774248860 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
2 records
Compound notes
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