Basic information
- CAS
577-62-8- Standard SMILES
CCOC(=O)c1ccccc1C(F)(F)F- InChIKey
BQLMZZVRHPZRBQ-UHFFFAOYSA-N- Molecular formula
- C10H9F3O2
- Average molar mass
- 218.17 g/mol
- Monoisotopic mass
- 218.05546401
Names & identifiers
- Preferred name
- Benzoic acid, 2-(trifluoromethyl)-, ethyl ester
- IUPAC
- ethyl 2-(trifluoromethyl)benzoate
- English name
- ETHYL 2-(TRIFLUOROMETHYL)BENZOATE
- Molecular formula
- C10H9F3O2
- Molecular weight
- 218.17
Names & synonyms
577-62-8Benzoic acid, 2-(trifluoromethyl)-, ethyl esterRefChem:118338Ethyl 2-(trifluoromethyl)benzoate31083-13-3MFCD000135562-Trifluoromethylbenzoic acid, ethyl esterethyl 2-trifluoromethylbenzoateRARECHEM AL BI 0046Ethyl2-(trifluoromethyl)benzoateEthyl 2-(trifluoromethyl)benzoate 97%2-Trifluoromethylbenzoic acid ethyl ester
Show more names
Ethyl 2-(trifluoromethyl)benzoate, 98+%Ethyl Ortho-α,α,α-trifluoromEthylbenzoate2-(TRIFLUOROMETHYL)BENZOIC ACID ETHYL ESTER
SCHEMBL1994129Ethyl o-(trifluoromethyl)benzoateDTXSID201033248Ethyl 2-(trifluoromethyl)benzoate #Ethyl2-(trifluoromethyl)benzoate97%SBB095538AKOS008948230FE80989
Database identifiers
- CAS
577-62-8- PubChem CID
- 521815
- DTXSID
DTXSID201033248- Nikkaji
- J3.181.231C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Boiling point
- 90 °C · 90 °C
- Density
- 1.459 · 1.459
- refractive index
- 1.45 · 1.45
- Flash point
- 90 · 90-91°C/10mm
- storage temp.
- Sealed in dry,Room Temperature
- form
- liquid
- color
- Clear, colourless
- BRN
- 3290053 · 3290053
- CAS DataBase Reference
- 577 · 577-62-8(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · Benzoic acid, 2-(trifluoromethyl)-, ethyl ester (577-62-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P302+P352-P362+P364
- Hazard Codes
- F
- Hazard Note
- Flammable
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- F
- hazard_note
- Flammable
- packing_group
- III
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P302+P352-P362+P364
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-(trifluoromethyl)-, ethyl ester: ACTIVE
Suppliers43 total
常州帝通化工有限公司+86-0519-88298848 · [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]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
Jinan Liheng Biotechnology Co., Ltd.15865262812 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
Related reactions
3 records
Compound notes
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