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Halogenated Heterocycles
4-Chloroquinazoline - 97%, high purity , CAS No.5190-68-1

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4-Chloroquinazoline - 97%, high purity , CAS No.5190-68-1

COA

Grade & Purity:

≥97%

Cas Number: 5190-68-1
Molecular Weight: 164.59
MDL number: MFCD00228682
PubChem CID: 78864
PubChem SID: 504755321

In stock

Item Number

C123527

Grouped product items
SKU	Size	Availability	Price
C123527-1g	1g	3	$46.90
C123527-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$210.90
C123527-10g	10g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$378.90
C123527-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$851.90
C123527-100g	100g	1	$3,066.90

Basic Description

Synonyms	BDBM50396785 \| DTXSID40199866 \| EN300-13896 \| Quinazoline, 4-chloro- (8CI)(9CI) \| AM20040616 \| Z119990038 \| FT-0600218 \| SCHEMBL25620 \| STK502714 \| AKOS000122828 \| 4-Chloro quinazoline \| 4-Chloroquinazoline, 97% \| F9995-0062 \| SY002173 \| PD119321 \| NSC 53
Specifications & Purity	≥97%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazanaphthalenes
    - Subclass Benzodiazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazanaphthalenes
Subclass	Benzodiazines
Intermediate Tree Nodes	Not available
Direct Parent	Quinazolines
Alternative Parents	Halopyrimidines Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinazoline - Halopyrimidine - Benzenoid - Pyrimidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
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

Associated Targets(Human)

PDE4D Tclin cAMP-specific 3',5'-cyclic phosphodiesterase 4D (1 Activities)

Discover Target: PDE4D

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PDE4A Tclin cAMP-specific 3',5'-cyclic phosphodiesterase 4A (1 Activities)

Discover Target: PDE4A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PDE4B Tclin cAMP-specific 3',5'-cyclic phosphodiesterase 4B (1 Activities)

Discover Target: PDE4B

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PDE4A Tclin Phosphodiesterase 4A (1943 Activities)

Discover Target: PDE4A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PDE4B Tclin Phosphodiesterase 4B (2748 Activities)

Discover Target: PDE4B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Pde4d Phosphodiesterase 4D (4 Activities)

Discover Target: Pde4d

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504755321
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755321
IUPAC Name	4-chloroquinazoline
INCHI	InChI=1S/C8H5ClN2/c9-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H
InChIKey	GVRRXASZZAKBMN-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C(=NC=N2)Cl
Isomeric SMILES	C1=CC=C2C(=C1)C(=NC=N2)Cl
WGK Germany	3
Molecular Weight	164.59
Reaxy-Rn	118619
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118619&ln=

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

10 results found

Lot Number	Certificate Type	Date	Item
I2312244	Certificate of Analysis	Sep 18, 2023	C123527
I2312245	Certificate of Analysis	Sep 18, 2023	C123527
I2312246	Certificate of Analysis	Sep 18, 2023	C123527
I2312243	Certificate of Analysis	Sep 18, 2023	C123527
A2220356	Certificate of Analysis	Mar 02, 2023	C123527
A2220274	Certificate of Analysis	Mar 02, 2023	C123527
A2220532	Certificate of Analysis	Mar 02, 2023	C123527
A2220264	Certificate of Analysis	Mar 02, 2023	C123527
A2220392	Certificate of Analysis	Mar 02, 2023	C123527
E1528056	Certificate of Analysis	Jan 06, 2023	C123527

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Melt Point(°C)	96-100°C
Molecular Weight	164.590 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	164.014 Da
Monoisotopic Mass	164.014 Da
Topological Polar Surface Area	25.800 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	140.000
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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