Basic information
- CAS
220180-55-2- Standard SMILES
COC(=O)c1cc2c(F)cccc2s1- InChIKey
SPZLAMSTAIFDBN-UHFFFAOYSA-N- Molecular formula
- C10H7FO2S
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.01507868
Names & identifiers
- Preferred name
- Methyl 4-fluoro-1-benzothiophene-2-carboxylate
- IUPAC
- methyl 4-fluoro-1-benzothiophene-2-carboxylate
- English name
- 4-Fluoro-benzo[b]thiophene-2-carboxylic acid methyl ester
- Molecular formula
- C10H7FO2S
- Molecular weight
- 210.22
Names & synonyms
220180-55-2Methyl 4-fluorobenzo[b]thiophene-2-carboxylatemethyl 4-fluoro-1-benzothiophene-2-carboxylate4-Fluoro-benzo[b]thiophene-2-carboxylic acid methyl esterMFCD06200964Benzo[b]thiophene-2-carboxylic acid, 4-fluoro-, methyl estermethyl 4-fluoro-2,3-dihydrobenzo[b]thiophene-2-carboxylateMethyl4-fluorobenzo[b]thiophene-2-carboxylateSCHEMBL721446DTXSID90382509SPZLAMSTAIFDBN-UHFFFAOYSA-NSBB094329
Show more names
4-Fluoro-benzo[b]thiophene-2-carboxylic acid ethyl esterMethyl 4-fluoro-1-benzothiophene-2-carboxylate, 4-Fluoro-2-(methoxycarbonyl)-1-benzothiophene
AKOS000672414CS-W000654SB66957SY239169methyl 4-fluorobenzothiophene-2-carboxylateMethyl4-fluoro-1-benzothiophene-2-carboxylate4-Fluoro-2-(methoxycarbonyl)-1-benzothiophene4-Fluoro-benzo[b]thiophene-2-carboxylic acid eth
Database identifiers
- CAS
220180-55-2
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Melting point
- 96 · 96-98°
- Boiling point
- 308.3 · 308.3±22.0 °C(Predicted)
- Density
- 1.355 · 1.355±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- HazardClass
- IRRITANT
- 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
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers45 total
宁波振岳医药科技有限公司19817745290 · [email protected]
安徽合诺生物科技有限公司0555-2761852
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
安徽合诺生物科技有限公司18455579438
陕西宇鼎卓医药科技有限公司18992018580 18165105898 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
Related reactions
4 records
Compound notes
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