Basic information
- CAS
55771-81-8- Standard SMILES
CCOC(=O)c1cc(Br)c(O)c(Br)c1- InChIKey
RLKDCOVOJVJVFI-UHFFFAOYSA-N- Molecular formula
- C9H8Br2O3
- Average molar mass
- 323.97 g/mol
- Monoisotopic mass
- 321.88402
Names & identifiers
- Preferred name
- Benzoic acid, 3,5-dibromo-4-hydroxy-, ethyl ester
- IUPAC
- ethyl 3,5-dibromo-4-hydroxybenzoate
- English name
- ethyl 3,5-dibromo-4-hydroxybenzoate
- Molecular formula
- C9H8Br2O3
- Molecular weight
- 323.97
Names & synonyms
55771-81-8Ethyl 4-hydroxy-3,5-dibromobenzoateBenzoic acid, 3,5-dibromo-4-hydroxy-, ethyl esterNSC 87149EINECS 259-805-2DTXSID0069048RefChem:118382DTXCID2041963RLKDCOVOJVJVFI-UHFFFAOYSA-NEthyl 3,5-dibromo-4-hydroxybenzoateDLB3WF8CX4Ethyl3,5-dibromo-4-hydroxybenzoate
Show more names
3,5-Dibromo-4-hydroxybenzoic acid ethyl ester
MFCD06204348NSC-87149NSC87149UNII-DLB3WF8CX4NCIOpen2_009306ALBB-032681AKOS022173307ethyl 3,5-dibromo-4-hydroxy-benzoate
Database identifiers
- CAS
55771-81-8- PubChem CID
- 96704
- DTXSID
DTXSID0069048- UNII
- DLB3WF8CX4
- EC Number
- 259-805-2
- Nikkaji
- J296.495C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- White to light yellow Solid
- FDA UNII
- 3 WF8CX4 · DLB3WF8CX4
- EPA Substance Registry System
- 3 · Benzoic acid, 3,5-dibromo-4-hydroxy-, ethyl ester (55771-81-8)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 3,5-dibromo-4-hydroxy-, ethyl ester: INACTIVE
Suppliers9 total
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
山东碳氢生物化工有限公司13060081947 13060081947 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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