Basic information
- CAS
139161-20-9- Standard SMILES
CCOC(=O)c1ccc2cc(Cl)ccn2c1=O- InChIKey
YJSYYXAPXKCOMG-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO3
- Average molar mass
- 251.66 g/mol
- Monoisotopic mass
- 251.03492086
Names & identifiers
- Preferred name
- Ethyl 8-chloro-4-oxo-4H-quinolizine-3-carboxylate
- IUPAC
- ethyl 8-chloro-4-oxoquinolizine-3-carboxylate
- English name
- Ethyl 8-chloro-4-oxo-4H-quinolizine-3-carboxlate
- Molecular formula
- C12H10ClNO3
- Molecular weight
- 251.67
Names & synonyms
139161-20-9Ethyl 8-chloro-4-oxo-4H-quinolizine-3-carboxylateEthyl 8-Chloro-4-oxo-4H-quinolizine-3-carboxlateethyl 8-chloro-4-oxoquinolizine-3-carboxylate8-Chloro-4-oxo-4H-quinolizine-3-carboxylic Acid Ethyl Ester;orb2940910SCHEMBL6755336DTXSID30391377YJSYYXAPXKCOMG-UHFFFAOYSA-NTXB-00208HY-W650530DB-243550
Show more names
8-Chloro-4-oxo-4H-quinolizine-3-carboxylic Acid Ethyl Ester4H-Quinolizine-3-carboxylic acid, 8-chloro-4-oxo-, ethyl ester
Ethyl 8-chloro-4H-quinolizin-4-one-3-carboxylate
Database identifiers
- CAS
139161-20-9- PubChem CID
- 3314858
- DTXSID
DTXSID30391377
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 500
Physicochemical properties
- Melting point
- 161 · 161-164°C
- Boiling point
- 420 · 420.0±45.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- -4.23 · -4.23±0.60(Predicted)
- form
- Solid
- color
- Brown
Chemistry & industry
Applications
UsesA selective fluorophore which shows a strong fluorescent response to Magesium.
Suppliers11 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
武汉艾瑞尔化学科技有限公司18986259541 18986259541 · [email protected]
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
南京新瑞医药科技有限公司19850079587 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
诺圣华控股集团有限公司+86-023-62871537 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
10 records
Compound notes
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