Basic information
- CAS
6324-10-3- Standard SMILES
O=C(O)c1cc(Br)c(Br)s1- InChIKey
USFXRYVNRUMABJ-UHFFFAOYSA-N- Molecular formula
- C5H2Br2O2S
- Average molar mass
- 285.94 g/mol
- Monoisotopic mass
- 283.81423
Names & identifiers
- Preferred name
- 4,5-Dibromothenoic acid
- IUPAC
- 4,5-dibromothiophene-2-carboxylic acid
- English name
- 4,5-DIBROMOTHIOPHENE-2-CARBOXYLIC ACID
- Molecular formula
- C5H2Br2O2S
- Molecular weight
- 285.94
Names & synonyms
4,5-Dibromothenoic acidDTXSID20212628EINECS 228-683-2NSC 30091RefChem:507638DTXCID50135119228-683-24,5-Dibromothiophene-2-carboxylic acid6324-10-34,5-Dibromo-2-thiophenecarboxylic acidMFCD000396824,5-DIBROMOTHIOPHENE-2-CARBOXYLICACID
Show more names
AKOS 93513AURORA 9949AKOS B013955ART-CHEM-BB B013955RARECHEM AL BE 0455OTAVA-BB BB70142116464,5-dibromo-2-thenoic acid2-Carboxy-4,5-dibromothiophene4,5-dibromo-2-thiophenecarboxylate
NSC300914,5-Dibromo-thiophene-2-carboxylic acidMaybridge1_002274SCHEMBL899479CHEMBL4129835HMS547P08STR05322NSC-30091
Database identifiers
- CAS
6324-10-3- PubChem CID
- 80611
- DTXSID
DTXSID20212628- ChEMBL
CHEMBL4129835- EC Number
- 228-683-2
- Nikkaji
- J1.838.002A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Melting point
- 227 · 227-228°C
- Boiling point
- 367.1 · 367.1±42.0 °C(Predicted)
- Density
- 2.309 · 2.309±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 3.31 · 3.31±0.10(Predicted)
- Appearance
- Off-white to yellow Solid
- BRN
- 135885 · 135885
- CAS DataBase Reference
- 6324 · 6324-10-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 g-P305+P351+P338 · P280g-P305+P351+P338
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 22 · 22-36/37/39
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety data
- hs_code
- 2934999090
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280g-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers50 total
上海康恩博医药科技有限公司17510465506 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
Related reactions
33 records
Compound notes
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