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7-Fluoro-6-nitroquinazolin-4(1H)-one - >98.0%(HPLC), high purity , CAS No.162012-69-3

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 162012-69-3
Molecular Weight: 209.14
MDL number: MFCD08690890
PubChem CID: 135398507
PubChem SID: 488202819

In stock

Item Number

F156689

Grouped product items
SKU	Size	Availability	Price
F156689-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$17.90
F156689-1g	1g	10	$55.90
F156689-5g	5g	4	$247.90
F156689-25g	25g	2	$1,115.90
F156689-100g	100g	1	$4,016.90

View related series

Quinazolines (57) Six-Membered Heterocyclic Compounds (1696)

Basic Description

Synonyms	7-FLUORO-6-NITRO-3H-QUINAZOLIN-4-ONE \| InChI=1/C8H4FN3O3/c9-5-2-6-4(1-7(5)12(14)15)8(13)11-3-10-6/h1-3H,(H,10,11,13) \| NCGC00184045-16 \| 7-fluoro-4-hydroxy-6-nitroquinazoline \| 1-Benzyl-2,5-bis(chloromethyl)piperidine hydrochloride \| VTUAEMSZEIGQRM-UHFFFA
Specifications & Purity	≥98%(HPLC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazanaphthalenes
    - Subclass Benzodiazines
      - Level5 Quinazolines
        Level6 Quinazolinamines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazanaphthalenes
Subclass	Benzodiazines
Intermediate Tree Nodes	Quinazolines
Direct Parent	Quinazolinamines
Alternative Parents	Nitroaromatic compounds Pyrimidones Aryl fluorides Benzenoids Vinylogous amides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions Organofluorides Organonitrogen compounds Organooxygen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinazolinamine - Nitroaromatic compound - Pyrimidone - Aryl fluoride - Aryl halide - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Organic nitrogen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic salt - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488202819
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488202819
IUPAC Name	7-fluoro-6-nitro-3H-quinazolin-4-one
INCHI	InChI=1S/C8H4FN3O3/c9-5-2-6-4(1-7(5)12(14)15)8(13)11-3-10-6/h1-3H,(H,10,11,13)
InChIKey	VTUAEMSZEIGQRM-UHFFFAOYSA-N
Smiles	C1=C2C(=CC(=C1[N+](=O)[O-])F)N=CNC2=O
Isomeric SMILES	C1=C2C(=CC(=C1[N+](=O)[O-])F)N=CNC2=O
Molecular Weight	209.14
Reaxy-Rn	7481719
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7481719&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
G1811085	Certificate of Analysis	May 07, 2022	F156689
D2313345	Certificate of Analysis	Sep 09, 2021	F156689

Chemical and Physical Properties

Melt Point(°C)	288 °C
Molecular Weight	209.130 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	209.024 Da
Monoisotopic Mass	209.024 Da
Topological Polar Surface Area	87.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	328.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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