Basic information
- CAS
289470-44-6- Standard SMILES
CCOC(=O)c1cc(Br)sc1Br- InChIKey
JJXKSBHSHSKQEX-UHFFFAOYSA-N- Molecular formula
- C7H6Br2O2S
- Average molar mass
- 314 g/mol
- Monoisotopic mass
- 311.84553
Names & identifiers
- Preferred name
- Ethyl 2,5-dibromothiophene-3-carboxylate
- IUPAC
- ethyl 2,5-dibromothiophene-3-carboxylate
- English name
- 3-Thiophenecarboxylicacid,2,5-dibromo-,ethylester(9CI)
- Molecular formula
- C7H6Br2O2S
- Molecular weight
- 313.99
Names & synonyms
Ethyl 2,5-dibromothiophene-3-carboxylate289470-44-6DTXSID10668650RefChem:342246DTXCID60619399891-262-23-Thiophenecarboxylic acid, 2,5-dibromo-, ethyl esterMFCD120321443-Thiophenecarboxylicacid, 2,5-dibromo-, ethyl esterTh-COOEt-2BrSCHEMBL3100139JJXKSBHSHSKQEX-UHFFFAOYSA-N
Show more names
2,5-dibromo-3-thiophenecarboxylic acid?ethyl ester2,5-dibromo-3-ethylthiophene--carbon dioxide (1/1)3-Thiophenecarboxylicacid,2,5-dibromo-,ethylester(9CI)
AKOS016025365DS-7621Ethyl2,5-dibromothiophene-3-carboxylateEthyl 2,5-DibroMo-3-thiophenecarboxylateCS-0094657C744862,5-Dibromo-3-thiophenecarboxylic acid-ethylesterF362177
Database identifiers
- CAS
289470-44-6- PubChem CID
- 45117604
- DTXSID
DTXSID10668650- EC Number
- 891-262-2
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Boiling point
- 299.1 · 299.1±35.0 °C(Predicted)
- Density
- 1.895 · 1.895±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Odor
- Yellow brownish powder/crystals
- Melting point
- 35 · 35-37 °C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesEthyl 2,5-dibromo-3-thiophenecarboxylate is an ester organic compound that can be used to study the highly selective asymmetric hydrogenation of polycarbonyl-functionalized ketones catalyzed by ruthenium.
DescriptionEthyl 2,5-dibromothiophene-3-carboxylate is a thiophene carboxylic acid derivatives. Carboxylate group is electron withdrawn to lower the electron density at the thiophene ring.
Suppliers45 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
郑州阿尔法化工有限公司13333829863 13333829863 · [email protected]
上海钰康生物科技有限公司15618758386 15618758386 · [email protected]
Related reactions
2 records
Compound notes
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