Ethyl 3-(2-fluorophenyl)propanoate

HCID 14879014
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Basic information

CAS
39856-89-8
Standard SMILES
CCOC(=O)CCc1ccccc1F
InChIKey
XZVQFYQJXPVOMI-UHFFFAOYSA-N
Molecular formula
C11H13FO2
Average molar mass
196.22 g/mol
Monoisotopic mass
196.08995788

Names & identifiers

Preferred name
Ethyl 3-(2-fluorophenyl)propanoate
IUPAC
ethyl 3-(2-fluorophenyl)propanoate
English name
3-(2-FLUORO-PHENYL)-PROPIONIC ACID ETHYL ESTER
Molecular formula
C11H13FO2
Molecular weight
196.22

Names & synonyms

Ethyl 3-(2-fluorophenyl)propanoate39856-89-8DTXSID10564961RefChem:343129DTXCID705157373-(2-fluoro-phenyl)-propionic acid ethyl esterEthyl3-(2-fluorophenyl)propanoateBenzenepropanoic acid, 2-fluoro-, ethyl esterEthyl 2-fluorobenzenepropanoateSCHEMBL1151562XZVQFYQJXPVOMI-UHFFFAOYSA-Nethyl 3-(2-fluorophenyl)propionate
Show more names
3-(2-Fluorophenyl)propanoate ethyl ester
AKOS006230057AS-93558DB-342940H57169F898585

Database identifiers

CAS
39856-89-8
PubChem CID
14879014
DTXSID
DTXSID10564961

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
14

Physicochemical properties

Boiling point
247.5 · 247.5±15.0 °C(Predicted)
Density
1.093 · 1.093±0.06 g/cm3(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers11 total

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
成都精致化诚生物科技有限公司028-37664989 15900794981 · [email protected]

Related reactions

6 records
New reaction record

Compound notes

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