Basic information
- CAS
395664-58-1- Standard SMILES
COC(=O)c1sc(Br)c(Br)c1F- InChIKey
CUZHIRPKCADYDJ-UHFFFAOYSA-N- Molecular formula
- C6H3Br2FO2S
- Average molar mass
- 317.96 g/mol
- Monoisotopic mass
- 315.82045276
Names & identifiers
- Preferred name
- Methyl 4,5-dibromo-3-fluorothiophene-2-carboxylate
- IUPAC
- methyl 4,5-dibromo-3-fluorothiophene-2-carboxylate
- English name
- 2-Thiophenecarboxylic acid, 4,5-dibromo-3-fluoro-, methyl ester
- Molecular formula
- C6H3Br2FO2S
- Molecular weight
- 317.96
Names & synonyms
395664-58-1Methyl 4,5-dibromo-3-fluorothiophene-2-carboxylate2-Thiophenecarboxylic acid, 4,5-dibromo-3-fluoro-, methyl esterC6H3Br2FO2SMFCD10566745Methyl 4,5-dibromo-3-fluoro-2-thiophenecarboxylateSCHEMBL1329709DTXSID50573779CUZHIRPKCADYDJ-UHFFFAOYSA-NAKOS015897297AS-68459CS-0084748
Show more names
F608641Methyl4,5-dibromo-3-fluorothiophene-2-carboxylatemethyl 4,5-dibromo-3-fluoro-thiophene-2-carboxylate4,5-dibromo-3-fluoro-2-thiophenecarboxylic acid methyl ester4,5-dibromo-3-fluoro-thiophene-2-carboxylic acid methyl ester
Database identifiers
- CAS
395664-58-1- PubChem CID
- 15533893
- DTXSID
DTXSID50573779- Nikkaji
- J1.633.648C
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Boiling point
- 311.6 · 311.6±42.0 °C(Predicted)
- Density
- 2.072 · 2.072±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers25 total
杭州品高化工有限公司0571-87658025 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京思诺康科技有限公司13891683844 13891683844 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
常州宣叶科技有限公司15195022192 · [email protected]
武汉艾瑞尔化学科技有限公司18986259541 18986259541 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
艾览（上海）化工科技有限公司400-668-9898 · [email protected]
Related reactions
7 records
Compound notes
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