4-硝基喹啉-N-氧化物

Description

4-Nitroquinoline-N-oxide · CAS 56-57-5 · C9H6N2O3. UNII X5081510EV. Melting Point: 309 °F (NTP, 1992); Melting Point: 154 °C; Vapor Pressure: 0.0000026 [mmHg].

Identification

CAS Registry Number	56-57-5
PubChem CID	5955
Molecular formula	C9H6N2O3
IUPAC name	4-nitro-1-oxidoquinolin-1-ium
UNII (FDA)	X5081510EV

Computed Descriptors

Molecular Weight	190.16
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	190.03784206
Monoisotopic Mass	190.03784206
Topological Polar Surface Area	71.3
Heavy Atom Count	14
Formal Charge	0

Physical & Chemical Properties

Melting Point	309 °F (NTP, 1992)
Melting Point	154 °C
Vapor Pressure	0.0000026 [mmHg]

Physical description & handling notes

• Yellowish-brown plates or needles or yellow solid. (NTP, 1992)
• Yellow solid; [HSDB] Yellowish-brown or yellow solid; Hygroscopic and sensitive to light; [CAMEO] Yellow or orange crystalline powder; [Alfa Aesar MSDS]
• YELLOW NEEDLES OR PLATES FROM ACETONE
• less than 1 mg/mL at 66 °F (NTP, 1992)
• LOW DEGREE OF ELECTROPHILIC REACTIVITY; NITRO GROUP CAN BE REPLACED BY HALOGENS, ALKOXYL, ARYLOXYL, MERCAPTO, & AMINO ACIDS.

Regulatory Status

GHS notification summary	6% (3 / 50)

GHS Hazard Classification

GHS notification summary	6% (3 / 50)
Reported hazard statements	H350 (92%)

Documented Uses

• Used as a research chemical; Not commercially produced in the US; [HSDB]
• OXIDATION OF 4-NITROQUINOLINE WITH A PERACID, EG, PERBENZOIC ACID
• (1977) NOT PRODUCED COMMERCIALLY IN US
• (1979) NOT PRODUCED COMMERCIALLY IN US
• Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.
• Chemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.

Synonyms

4-Nitroquinoline N-oxide; 56-57-5; 4-Nitroquinoline 1-oxide; 4-NITROQUINOLINE-N-OXIDE; 4-Nitroquinoline-1-oxide; Nitrochin; 4-NQO; Quinoline, 4-nitro-, 1-oxide; 4-Nitroquinoline oxide; 4 NQO; Quinoline, 4-nitro-, oxide; 4-Nitrochinolin N-oxid; DTXSID5025780; NSC-19645; CHEBI:16907; NSC19645

Frequently Asked Questions

What are the CAS number and molecular formula of 4-Nitroquinoline-N-oxide?

CAS 56-57-5; molecular formula C9H6N2O3; molecular weight — g/mol.

What other names is 4-Nitroquinoline-N-oxide known by?

4-Nitroquinoline N-oxide, 56-57-5, 4-Nitroquinoline 1-oxide, 4-NITROQUINOLINE-N-OXIDE, 4-Nitroquinoline-1-oxide, Nitrochin.

Is 4-Nitroquinoline-N-oxide classified as hazardous?

6% of GHS notifications report no hazard classification (3 of 50).

What are the key physical properties of 4-Nitroquinoline-N-oxide?

Melting Point: 309 °F (NTP, 1992); Melting Point: 154 °C; Vapor Pressure: 0.0000026 [mmHg].

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.