Skip to the beginning of the images gallery

4-Chloro-2,1,3-benzoxadiazole - 98%, high purity , CAS No.7116-16-7

COA

Grade & Purity:

≥98%

Cas Number: 7116-16-7
Molecular Weight: 154.55
MDL number: MFCD00191329
PubChem CID: 592984
PubChem SID: 488190543

In stock

Item Number

C153435

Grouped product items
SKU	Size	Availability	Price
C153435-250mg	250mg	3	$12.90
C153435-1g	1g	10	$53.90
C153435-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$189.90
C153435-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$645.90

View related series

Halogenated heterocyclic block (1171) Oxadiazoles (49)

Basic Description

Synonyms	SCHEMBL3893783 \| D76750 \| 4-Chlorobenzofurazan \| 4-chlorobenzo[c][1,2,5]oxadiazole \| STK780007 \| CCG-321567 \| 7-chloro-[2,1,3]benzoxadiazole \| 4-Chloro-2,1,3-benzoxadiazole \| MFCD00191329 \| AKOS005619105 \| AS-62235 \| EN300-220245 \| DTXSID30343896 \| 4-chlo
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzoxadiazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzoxadiazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzoxadiazoles
Alternative Parents	Benzenoids Aryl chlorides Heteroaromatic compounds Furazans Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzoxadiazole - Aryl chloride - Aryl halide - Benzenoid - Azole - Furazan - Oxadiazole - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzoxadiazoles. These are organic compounds containing a benzene fused to an oxadiazole ring (a five-membered ring with two carbon atoms, one nitrogen atom, and one oxygen atom).
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	488190543
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488190543
IUPAC Name	4-chloro-2,1,3-benzoxadiazole
INCHI	InChI=1S/C6H3ClN2O/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H
InChIKey	YLEBWUGKYMZPQQ-UHFFFAOYSA-N
Smiles	C1=CC2=NON=C2C(=C1)Cl
Isomeric SMILES	C1=CC2=NON=C2C(=C1)Cl
Molecular Weight	154.55
Reaxy-Rn	509238
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=509238&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.

6 results found

Lot Number	Certificate Type	Date	Item
J2331058	Certificate of Analysis	Oct 24, 2023	C153435
J2331056	Certificate of Analysis	Oct 24, 2023	C153435
B2223603	Certificate of Analysis	Jan 26, 2022	C153435
C2330401	Certificate of Analysis	Jan 26, 2022	C153435
B2223600	Certificate of Analysis	Jan 26, 2022	C153435
B2223519	Certificate of Analysis	Jan 26, 2022	C153435

Chemical and Physical Properties

Melt Point(°C)	82.0 - 85.0 °C
Molecular Weight	154.550 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	153.993 Da
Monoisotopic Mass	153.993 Da
Topological Polar Surface Area	38.900 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	133.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration