Basic information
- Standard SMILES
CCOC(=O)c1ccc(Br)cc1- InChIKey
XZIAFENWXIQIKR-UHFFFAOYSA-N- Molecular formula
- C9H9BrO2
- Average molar mass
- 229.07 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-bromobenzoate
- IUPAC
- ethyl 4-bromobenzoate
- English name
- Ethyl 4-bromobenzoate D4
- Molecular formula
- C9H9BrO2
- Molecular weight
- 229.07
Names & synonyms
Ethyl 4-bromobenzoate4-Bromobenzoic Acid Ethyl EsterETHYL P-BROMOBENZOATEBenzoic acid, 4-bromo-, ethyl esterEthyl-4-bromobenzoate4-Carbethoxyphenyl bromide4-Bromobenzoic acid, ethyl esterUNII-58G35541Q14-(Ethoxycarbonyl)-1-bromobenzeneEINECS 227-347-2NSC 67387NSC-67387
Show more names
Ethyl 4-bromobenzoate D4
AI3-1108658G35541Q1DTXSID9064005P-BROMOBENZOIC ACID ETHYL ESTER4-BROMOBENZOIC ACID ETHYL ESTER [MI]RefChem:138756DTXCID5042291227-347-2
Database identifiers
- CAS
787624-25-3- UNII
- 58G35541Q1
- EC Number
- 227-347-2
- Nikkaji
- J218.059F
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-bromo-, ethyl ester: INACTIVE
Applications
UsesEthyl 4-bromobenzoate-d4 is the deuterium-labeled Ethyl 4-bromobenzoate (HY-W007730)[1]. Ethyl 4-bromobenzoate is an organic compound.
Suppliers6 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海乾平生物医药科技有限公司（宁波仓库发货）021-61537865 13585780846 · [email protected]
上海基度生物科技有限公司13851761812 · [email protected]
郑州艾克姆化工有限公司037163312495 13303845143 · [email protected]
Related reactions
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Linked notes
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