Basic information
- CAS
6942-98-9- Standard SMILES
O=[N+]([O-])c1ccc(Cl)c2cccnc12- InChIKey
DHRPLGHWWKFRKY-UHFFFAOYSA-N- Molecular formula
- C9H5ClN2O2
- Average molar mass
- 208.6 g/mol
- Monoisotopic mass
- 208.0039551
Names & identifiers
- Preferred name
- 5-Chloro-8-nitroquinoline
- IUPAC
- 5-chloro-8-nitroquinoline
- English name
- 5-CHLORO-8-NITROQUINOLINE
- Molecular formula
- C9H5ClN2O2
- Molecular weight
- 208.6
Names & synonyms
5-Chloro-8-nitroquinoline6942-98-9quinoline, 5-chloro-8-nitro-5-chloro-8-nitro-quinolineQuinoline,5-chloro-8-nitro-MFCD00552691NSC51628MLS000771982SCHEMBL2469833CHEMBL1520685DTXSID40287575DHRPLGHWWKFRKY-UHFFFAOYSA-N
Show more names
NSC 51628
HMS2684D22ALBB-027824NSC-51628AKOS001420741MB01301LS-09620SMR000376517SY157074
Database identifiers
- CAS
6942-98-9- PubChem CID
- 242755
- DTXSID
DTXSID40287575- ChEMBL
CHEMBL1520685
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 231
Experimental & physicochemical properties
Solubility24.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 136 · 136-136.5℃
- Boiling point
- 353.6 · 353.6±27.0 °C(Predicted)
- Density
- 1.484 · 1.484±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 0.12 · 0.12±0.29(Predicted)
- Appearance
- Light yellow to yellow Solid
- InChI
- InChI=1S/C9H5ClN2O2/c10-7-3-4-8(12(13)14)9-6(7)2-1-5-11-9/h1-5H
- InChIKey
- DHRPLGHWWKFRKY-UHFFFAOYSA-N
- SMILES
- N1C2C(=C(Cl)C=CC=2[N+]([O-])=O)C=CC=1
Chemistry & industry
Applications
Uses5-Chloro-8-nitroquinoline itself is not typically used as a final product; its core value lies in its role as a pharmaceutical intermediate. Its primary use is in the synthesis of bioactive molecules, particularly antimalarial drugs.
Suppliers39 total
上海康恩博医药科技有限公司17510465506 · [email protected]
河北凡博医药科技有限公司15588346797
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
河北凡博医药科技有限公司15832170903 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Related reactions
8 records
Compound notes
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