5-Nitroquinoline 1-oxide

HCID 82085
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Basic information

CAS
7613-19-6
Standard SMILES
O=[N+]([O-])c1cccc2c1ccc[n+]2[O-]
InChIKey
CMZRGZILWKLDMH-UHFFFAOYSA-N
Molecular formula
C9H6N2O3
Average molar mass
190.16 g/mol
Monoisotopic mass
190.03784206

Names & identifiers

Preferred name
5-Nitroquinoline 1-oxide
IUPAC
5-nitro-1-oxidoquinolin-1-ium
English name
5-NITROQUINOLINE 1-OXIDE
Molecular formula
C9H6N2O3
Molecular weight
190.16

Names & synonyms

5-Nitroquinoline 1-oxideQuinoline, 5-nitro-, 1-oxide4-20-00-03397 (Beilstein Handbook Reference)DTXSID70226992BRN 0165755RefChem:103277DTXCID00149483CMZRGZILWKLDMH-UHFFFAOYSA-NInChI=1/C9H6N2O3/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h1-67613-19-65-nitro-1-oxidoquinolin-1-iumMFCD00234499
Show more names
5-Nitroquinoline-1-oxide5-nitroquinolin-1-olFampridine Impurity 1405-nitroquinoline-1 -oxideSCHEMBL2796338SBB0910745-Nitro-1-oxo-1lambda~5~-quinolineAKOS006272212

Database identifiers

CAS
7613-19-6
PubChem CID
82085
DTXSID
DTXSID70226992
Nikkaji
J59.546B

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
71.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
14

Physicochemical properties

Melting point
163 · 163-164 °C(Solv: toluene (108-88-3))
Boiling point
387.6 · 387.6±34.0 °C(Predicted)
Density
1.42 · 1.42±0.1 g/cm3(Predicted)
pka
-0.7 · -0.70±0.30(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers12 total

武汉布林科技有限公司3456065315 13260619011 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
济南凯西生物科技有限公司13370511208; 15853141736 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]

Related reactions

9 records
New reaction record

Compound notes

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