Basic information
- CAS
39560-31-1- Standard SMILES
COC(=O)CCC(=O)c1ccc(F)cc1- InChIKey
WVLOAJPINXKMAW-UHFFFAOYSA-N- Molecular formula
- C11H11FO3
- Average molar mass
- 210.2 g/mol
- Monoisotopic mass
- 210.06922243
Names & identifiers
- Preferred name
- Methyl 4-(4-fluorophenyl)-4-oxobutanoate
- IUPAC
- methyl 4-(4-fluorophenyl)-4-oxobutanoate
- English name
- Methyl-4-(4-Fluorophenyl)-4-oxobutanoate
- Molecular formula
- C11H11FO3
- Molecular weight
- 210.2016432
Names & synonyms
methyl 4-(4-fluorophenyl)-4-oxobutanoate39560-31-1DTXSID60409015RefChem:355397DTXCID40359867MFCD03090514Methyl-4-(4-Fluorophenyl)-4-oxobutanoateMethyl4-(4-Fluorophenyl)-4-oxobutanoateMethyl 4-(4-fluorophenyl)-4-oxo-butanoateSCHEMBL640759WVLOAJPINXKMAW-UHFFFAOYSA-NMethyl 3-(p-fluorobenzoyl)propionate
Show more names
Methyl 4-fluoro-γ-oxobenzenebutanoateMethyl 4-fluoro-γ-oxobenzenebutanoate4-(4-fluorophenyl)-4-oxybutyric acidmethyl ester
AKOS008904996AC-7110Methyl 3-(4-fluorobenzoyl)-propionateMethyl 4-fluoro-gamma-oxobenzenebutanoateAS-31567Methyl 4-(4-fluorophenyl)-4-oxobutyrateMethyl-4-(4-Fluorophenyl)-4-oxobutanoatSY004009
Database identifiers
- CAS
39560-31-1- PubChem CID
- 5159157
- DTXSID
DTXSID60409015- Nikkaji
- J2.100.425A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Melting point
- 42 · 42~44℃
- Boiling point
- 315.7 · 315.7±22.0 °C(Predicted)
- Density
- 1.179 · 1.179±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Appearance
- Yellow to brown Solid
- InChI
- InChI=1S/C11H11FO3/c1-15-11(14)7-6-10(13)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3
- InChIKey
- WVLOAJPINXKMAW-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)CCC(C1=CC=C(F)C=C1)=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2918300090 · 2918300090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2918300090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesMethyl 4-(4-fluorophenyl)-4-oxobutanoate
Suppliers31 total
南京翔睿科技有限公司021-021-00000000 15715199582
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
上海沃见生物科技有限公司021-18017654 18017654809 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
南通韦恩迪医药科技有限公司18071612016 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Related reactions
13 records
Compound notes
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