6-Methoxy-8-nitroquinoline

HCID 6822

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Basic information

CAS: 85-81-4
Standard SMILES: COc1cc([N+](=O)[O-])c2ncccc2c1
InChIKey: MIMUSZHMZBJBPO-UHFFFAOYSA-N
Molecular formula: C10H8N2O3
Average molar mass: 204.18 g/mol
Monoisotopic mass: 204.05349212

Names & identifiers

Preferred name: 6-Methoxy-8-nitroquinoline
IUPAC: 6-methoxy-8-nitroquinoline
English name: 6-Methoxy-8-nitroquinoline
Molecular formula: C10H8N2O3
Molecular weight: 204.18

Names & synonyms

6-Methoxy-8-nitroquinolineQUINOLINE, 6-METHOXY-8-NITRO-6-Methoxy-8-nitro-quinoline8-Nitro-6-methoxyquinolineMethyl 8-nitro-6-quinolyl etherNSC 1883EINECS 201-633-7ATS412O1XOBRN 0168992AI3-16314NSC-1883UNII-ATS412O1XO

Show more names

6-METHOXY-8-NITROQUINOPrimaquine EP Impurity BMethoxy-8-Nitroquinoline6-methoxy-8-nitro-quinolin6-Methoxy-8-nitroquinoline>6-METOXY-8-NITROQUINOLINE,99%6-Methoxy-8-nitroquinoline,99%

MIMUSZHMZBJBPO-UHFFFAOYSA-DTXSID502340505-21-03-00248 (Beilstein Handbook Reference)METHOXY-8-NITROQUINOLINE, 6-PRIMAQUINE DIPHOSPHATE IMPURITY B [EP IMPURITY]PRIMAQUINE DIPHOSPHATE IMPURITY B (EP IMPURITY)RefChem:104936DTXCID50156541

Database identifiers

CAS: 85-81-4
PubChem CID: 6822
DTXSID: DTXSID50234050
ChEMBL: CHEMBL166980
UNII: ATS412O1XO
EC Number: 201-633-7
Nikkaji: J797H

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 67.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 241

Physicochemical properties

Melting point: 158 · 158-160 °C(lit.)
Boiling point: 342.67 °C · 342.67°C (rough estimate)
Density: 1.3244 · 1.3244 (rough estimate)
refractive index: 1.591 · 1.5910 (estimate)
storage temp.: Sealed in dry,Room Temperature
pka: 1.25 · 1.25±0.20(Predicted)
form: Crystalline Powder
color: Yellow
CAS DataBase Reference: 85 · 85-81-4(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 412 O1XO · ATS412O1XO
Symbol(GHS): 7 · GHS07,GHS08
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335-H351
Precautionary statements: 261 · P261-P280-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22-36/37/38-40
Safety Statements: 26 · 26-27-36/37/39
WGK Germany: 3 · 3
RTECS: 365000 · VC0365000
HS Code: 29334900 · 29334900

Safety & regulation

Safety data

wgk: 3
rtecs: VC0365000
hs_code: 29334900
risk_code: 20/21/22-36/37/38-40
Signal word: Warning
Symbol(GHS): GHS07,GHS08
hazard_code: Xn
safety_code: 26-27-36/37/39
Hazard statements: H302+H312+H332-H315-H319-H335-H351
Precautionary statements: P261-P280-P305+P351+P338

Chemistry & industry

Applications

Uses6-Methoxy-8-nitroquinoline is used in treating and preventing pancreatic cancer. Also, used in preparation of Quinoline derivatives as antiparasitic agents useful in the prophylaxis and treatment of malaria and parasitic diseases.