Basic information
- CAS
162848-23-9- Standard SMILES
COc1c(C(=O)O)csc1Br- InChIKey
OMNYIQIDPSRNES-UHFFFAOYSA-N- Molecular formula
- C6H5BrO3S
- Average molar mass
- 237.07 g/mol
- Monoisotopic mass
- 235.91428
Names & identifiers
- Preferred name
- 5-Bromo-4-methoxythiophene-3-carboxylic acid
- IUPAC
- 5-bromo-4-methoxythiophene-3-carboxylic acid
- English name
- 5-Bromo-4-methoxythiophene-3-carboxylic acid
- Molecular formula
- C6H5BrO3S
- Molecular weight
- 237.07
Names & synonyms
5-bromo-4-methoxythiophene-3-carboxylic acid162848-23-9MFCD000680313-Thiophenecarboxylic acid, 5-bromo-4-methoxy-Maybridge3_0034175-Bromo-4-methoxythiophene-3-carboxylicacidSCHEMBL2745234DTXSID50380900OMNYIQIDPSRNES-UHFFFAOYSA-NHMS1440L07SBB098724AKOS015898670
Show more names
5-Bromo-4-methoxy-3-thiophenecarboxylic acid
CCG-250502DS-0984FS-3249IDI1_014804DB-015310CS-02071912-Bromo-3-methoxythiophene-4-carboxylic acid5-bromo-4-methoxy-thiophene-3-carboxylic acid
Database identifiers
- CAS
162848-23-9- PubChem CID
- 2778393
- DTXSID
DTXSID50380900
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Melting point
- 155 °C · 155 °C
- Boiling point
- 333.1 · 333.1±42.0 °C(Predicted)
- Density
- 1.801 · 1.801±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 3.68 · 3.68±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Risk Statements
- 36 · 36/37/38-20/21/22
- Safety Statements
- 26 · 26-36/37/39-22
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety data
- hs_code
- 2934999090
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39-22
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers27 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [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]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
上海恩诺生物科技有限公司
Related reactions
2 records
Compound notes
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