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8-Hydroxy-5-nitroquinoline(CAS No. 4008-48-4)

8-Hydroxy-5-nitroquinoline C9H6N2O3 (cas 4008-48-4) Molecular Structure

4008-48-4 Structure

Identification and Related Records

【Name】
8-Hydroxy-5-nitroquinoline
【CAS Registry number】
4008-48-4
【Synonyms】
5-Nitro-8-quinolinol
Nitroxoline
5-Nitro-8-hydroxyquinoline
【EINECS(EC#)】
223-662-4
【Molecular Formula】
C9H6N2O3 (Products with the same molecular formula)
【Molecular Weight】
190.16
【Inchi】
InChI=1/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H
【InChIKey】
RJIWZDNTCBHXAL-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC2=C(C=CC(=C2N=C1)O)[N+](=O)[O-]
【MOL File】
4008-48-4.mol

Chemical and Physical Properties

【Appearance】
ochre-yellow to brownish crystalline powder
【Density】
1.496 g/cm3
【Melting Point】
181-183℃
【Boiling Point】
419 °C at 760mmHg
【Vapour】
0mmHg at 25°C
【Refractive Index】
1.728
【Flash Point】
419 °C at 760mmHg
【Solubilities】
Very soluble
【Stability】
Stable under normal temperatures and pressures.
【Storage temp】
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:190.15554 [g/mol]
Molecular Formula:C9H6N2O3
XLogP3:2.1
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:0
Tautomer Count:2
Exact Mass:190.037842
MonoIsotopic Mass:190.037842
Topological Polar Surface Area:78.9
Heavy Atom Count:14
Formal Charge:0
Complexity:229
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Ring Count:2
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
T:Toxic;
【Risk Statements】
R22/24/25;R36/37/38
【Safety Statements 】
S26;S36;S45
【HazardClass】
6.1
【Hazard Note】
Toxic/Irritant
【Safety】
Hazard Codes:T,Xi,Xn
Risk Statements:23/24/25-36/37/38-22/24/25-20/21/22
23/24/25:Toxic by inhalation, in contact with skin and if swallowed
36/37/38:Irritating to eyes, respiratory system and skin
20/21/22:Harmful by inhalation, in contact with skin and if swallowed
Safety Statements:26-36-45
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
RIDADR:UN 2811 6.1/PG 3
WGK Germany:3
HazardClass:6.1
PackingGroup:III
Hazard Note:Toxic/Irritant
【PackingGroup 】
III
【Transport】
UN 2811
【Specification】

ochre-yellow to brownish crystalline powder
Safety Statements:26-36-45
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)

Use and Manufacturing

【Usage】
An antibiotic.

Biomedical Effects and Toxicity

【Pharmacological Action】
- Substances capable of killing agents causing urinary tract infections or of preventing them from spreading.
- Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.

Supplier Location

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Business Type:Manufacturer
Telephone:86-21-61723543

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