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Basic information
- CAS
154325-75-4- Standard SMILES
CCOC(=O)C(C)(C)CC(=O)CBr- InChIKey
LVXCDNNMZJAPOG-UHFFFAOYSA-N- Molecular formula
- C9H15BrO3
- Average molar mass
- 251.12 g/mol
- Monoisotopic mass
- 250.02045644
Names & identifiers
- Preferred name
- Ethyl 5-bromo-2,2-dimethyl-4-oxopentanoate
- IUPAC
- ethyl 5-bromo-2,2-dimethyl-4-oxopentanoate
- English name
- ETHYL 5-BROMO-2,2-DIMETHYL-4-OXOPENTANOATE
- Molecular formula
- C9H15BrO3
- Molecular weight
- 251.12
Names & synonyms
ethyl 5-bromo-2,2-dimethyl-4-oxopentanoate154325-75-4Pentanoic acid,5-bromo-2,2-dimethyl-4-oxo-, ethyl esterEthyl 5-bromo-2,2-dimethyl-4-oxo-pentanoateSCHEMBL1253667DTXSID40399203LVXCDNNMZJAPOG-UHFFFAOYSA-NMFCD04116142AKOS016011462CS-15641DB-064034CS-0006849
Show more names
(Mixture of BroMo/Chloro)5-Bromo-2,2-dimethyl-4-oxopentanoic Acid Ethyl Ester5-Chloro-2,2-diMethyl-4-oxopentanoic Acid Ethyl Ester5-bromo-2,2-dimethyl-4-oxo-Pentanoic acid ethyl ester (9CI ACI)Pentanoic acid, 5-bromo-2,2-dimethyl-4-oxo-, ethyl ester (9CI, ACI)Ethyl 5-Bromo-2,2-dimethyl-4-oxopentanoate Ethyl 5-Chloro-2,2-dimethyl-4-oxopentanoate (Bromo/Chloro Mixture)
D724575-bromo-2,2-dimethyl-4-oxo-pentanoic acid ethyl esterPentanoic acid, 5-broMo-2,2-diMethyl-4-oxo-, ethyl ester
Database identifiers
- CAS
154325-75-4
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Boiling point
- 290 ℃ · 290℃
- Density
- 1.315 · 1.315
- Flash point
- 129 ℃ · 129℃
- storage temp.
- Refrigerator
- solubility
- Chloroform, Ethyl Acetate
- form
- Oil
- color
- Clear Colourless to Pale Yellow
Chemistry & industry
Applications
UsesIndolylalkanoate intermediate as leukotriene biosynthesis inhibitors.
Suppliers10 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海正钇医药科技有限公司17740884366 · [email protected]
南京宁凡医药科技有限公司17368696818
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
Related reactions
2 records
Compound notes
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