Basic information
- CAS
826995-60-2- Standard SMILES
O=C(O)c1cc2c(Br)cc(F)cc2s1- InChIKey
PXGFZIQMCBVBMJ-UHFFFAOYSA-N- Molecular formula
- C9H4BrFO2S
- Average molar mass
- 275.1 g/mol
- Monoisotopic mass
- 273.90994
Names & identifiers
- Preferred name
- 4-Bromo-6-fluorobenzo[b]thiophene-2-carboxylic acid
- IUPAC
- 4-bromo-6-fluoro-1-benzothiophene-2-carboxylic acid
- English name
- 4-broMo-6-fluorobenzo[b]thiophene-2-carboxylic acid
- Molecular formula
- C9H4BrFO2S
- Molecular weight
- 275.09
Names & synonyms
826995-60-24-bromo-6-fluorobenzo[b]thiophene-2-carboxylic acid4-BROMO-6-FLUORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACIDBenzo[b]thiophene-2-carboxylic acid, 4-bromo-6-fluoro-4-bromo-6-fluorobenzo[b]thiophene-2-carboxylicacidSCHEMBL20563326DTXSID30837225CS-M1000MFCD13180839AKOS030587195CS-13761DB-253133
Show more names
4-bromo-6-fluoro-benzothiophene-2-carboxylic acidF788914
Database identifiers
- CAS
826995-60-2- PubChem CID
- 71417895
- DTXSID
DTXSID30837225
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 427.1 · 427.1±40.0 °C(Predicted)
- Density
- 1.884 · 1.884±0.06 g/cm3(Predicted)
- pka
- 3.2 · 3.20±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2934999090 · 2934999090
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
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers15 total
安徽合诺生物科技有限公司0555-2761852
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海奈亦斯生物科技有限公司18321139117 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
济宁一泽医药科技有限公司15192473210 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海皓元医药股份有限公司021-58950125 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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