Basic information
- CAS
1813-93-0- Standard SMILES
CCOC(=O)C(=O)c1ccccc1F- InChIKey
YMBISXZGELJNMH-UHFFFAOYSA-N- Molecular formula
- C10H9FO3
- Average molar mass
- 196.17 g/mol
- Monoisotopic mass
- 196.05357237
Names & identifiers
- Preferred name
- Ethyl 2-(2-fluorophenyl)-2-oxoacetate
- IUPAC
- ethyl 2-(2-fluorophenyl)-2-oxoacetate
- English name
- Ethyl 2-fluorobenzoylformate
- Molecular formula
- C10H9FO3
- Molecular weight
- 196.18
Names & synonyms
1813-93-0ethyl 2-(2-fluorophenyl)-2-oxoacetateEthyl 2-fluorobenzoylformateMFCD09801420ETHYL (2-FLUOROPHENYL)(OXO)ACETATE2-Fluoro-oxo-benzeneacetic acid ethyl esterBenzeneacetic acid, 2-fluoro-alpha-oxo-, ethyl esterSCHEMBL2498608DTXSID40616568Ethyl 2-(2-fluorophenyl)-2-oxo-acetateethyl(2-fluorophenyl)(oxo)acetateYMBISXZGELJNMH-UHFFFAOYSA-N
Show more names
Benzeneacetic acid, 2-fluoro-α-oxo-, ethyl ester
XH0584AKOS006328838ethyl2-(2-fluorophenyl)-2-oxoacetateAS-67669SY032594DB-065362CS-0151906(2-Fluorophenyl)-oxo-acetic acid ethyl ester
Database identifiers
- CAS
1813-93-0- PubChem CID
- 21644544
- DTXSID
DTXSID40616568- Nikkaji
- J3.094.703G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 149 · 149-152 °C(Press: 30 Torr)
- Density
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- liquid
- color
- Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P302+P352-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2918300090 · 2918300090
Safety & regulation
Safety data
- hs_code
- 2918300090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers31 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安徽合诺生物科技有限公司0555-2761852
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
安徽合诺生物科技有限公司18455579438
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Related reactions
1 records
Compound notes
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