Basic information
- CAS
41280-81-3- Standard SMILES
COC(=O)c1sc2ccc(OC)cc2c1Cl- InChIKey
WWDSBGDUDDPVRU-UHFFFAOYSA-N- Molecular formula
- C11H9ClO3S
- Average molar mass
- 256.71 g/mol
- Monoisotopic mass
- 255.99609283
Names & identifiers
- Preferred name
- Methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
- IUPAC
- methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
- English name
- Methyl 3-chloro-5-methoxybenzo[b]thiophene-2-carboxylate
- Molecular formula
- C11H9ClO3S
- Molecular weight
- 256.71
Names & synonyms
41280-81-3methyl 3-chloro-5-methoxybenzo[b]thiophene-2-carboxylatemethyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylateMFCD00100498SCHEMBL6656891DTXSID20384273WWDSBGDUDDPVRU-UHFFFAOYSA-NAKOS030240211Benzo[b]thiophene-2-carboxylic acid, 3-chloro-5-methoxy-, methyl esterNS-00056SY376342DB-221067
Show more names
CS-0361820D87781methyl 3-chloro-5-methoxy-benzothiophene-2-carboxylatemethyl3-chloro-5-methoxybenzo[b]thiophene-2-carboxylatemethyl 3-chloro-5-methoxy-benzo[b]thiophene-2- carboxylatemethyl 3-chloro-5-methoxy-benzo[b]thiophene-2-carboxylate
Database identifiers
- CAS
41280-81-3- PubChem CID
- 2801561
- DTXSID
DTXSID20384273- Nikkaji
- J1.804.887F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Melting point
- 116 · 116-117 °C(Solv: ethanol (64-17-5))
- Boiling point
- 376.9 · 376.9±37.0 °C(Predicted)
- Density
- 1.373 · 1.373±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
Suzhou Victorypharm Co.,Ltd.+86-13916956214 · [email protected]
苏州维塔力生物医药有限公司512-68242903 13916956214 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
Suzhou Laing Biotechnology Co.,Ltd+86-13004516015 +86-18149392822 · [email protected]
Related reactions
4 records
Compound notes
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