5-Chloro-2-mercaptobenzoxazole

Name: 5-Chloro-2-mercaptobenzoxazole
Brand: Vaqora Chemicals
SKU: VQ-042322

About 5-Chloro-2-mercaptobenzoxazole

5-Chloro-2-mercaptobenzoxazole (CAS 22876-19-3) is an impurity of Suvorexant offered by Vaqora Chemicals. With the molecular formula C7H4ClNOS, it has a molar mass of 185.63 g/mol. Systematically, it is named 5-chloro-3H-1,3-benzoxazole-2-thione. Common synonyms include 5-Chlorobenzo[d]oxazole-2-thiol and 2(3H)-Benzoxazolethione, 5-chloro-.

It is supplied as a solid. Store the standard in its sealed vial, protected from light and moisture, and follow the storage condition printed on the COA. The GHS classification uses the signal word “Warning”, so appropriate gloves, eye protection and ventilation are recommended.

As a characterised impurity of Suvorexant, it is used for analytical method development, method validation (AMV) and routine quality-control testing, and it supports ANDA and DMF regulatory filings. Buyers come mainly from pharmaceutical manufacturing and academic and industrial research.

Available in 10 mg, 25 mg, 50 mg and 100 mg packs, 5-Chloro-2-mercaptobenzoxazole is dispatched with a Certificate of Analysis (COA) to destinations worldwide.

Typical applications

Analytical method development
Method validation (AMV)
QC release testing
ANDA / DMF filings

Industries

Related to Suvorexant

View every impurity, metabolite and intermediate we list for Suvorexant.

Suvorexant impurities

Specifications & identifiers

Chemical identifiers
Product name	5-Chloro-2-mercaptobenzoxazole
Catalogue No.	VQ-042322
CAS Number	22876-19-3
IUPAC name	5-chloro-3H-1,3-benzoxazole-2-thione
Molecular formula	C₇H₄ClNOS
Molecular weight	185.63 g/mol
Exact mass	184.9702
Grade	Reference Standard
HSN code	38229090
InChIKey	BOBIZYYFYLLRAH-UHFFFAOYSA-N
SMILES	C1=CC2=C(C=C1Cl)NC(=S)O2
PubChem CID	708870

Physical properties
Physical form	Solid
LogP (XLogP3)	2.4
H-bond donors / acceptors	1 / 2
TPSA	53.4 Å²
Synonyms	5-Chlorobenzo[d]oxazole-2-thiol, 2(3H)-Benzoxazolethione, 5-chloro-, 5-Chloro-2-thioxobenzoxazoline, 2-Benzoxazolethiol, 5-chloro-, 2-Benzoxazolinethione, 5-chloro-, 2-Benzoxazolinethione, 5-chloro-(8CI), 2(3H)-Benzoxazolethione, 5-chloro-(9CI), 5-chloro-1,3-benzoxazole-2-thiol, 5-Chlorobenzo[d]oxazole-2(3H)-thione, 5-Chlorobenzooxazole-2-thiol, 2-Mercapto-5-chlorobenzoxazole, 5-Chloro-1,3-benzoxazole-2(3H)-thione

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation

Precautionary statements: P261, P264, P264 + P265, P270, P271, P280, P301 + P317, P302 + P352, P304 + P340, P305 + P351 + P338, P319, P321, P330, P332 + P317, P337 + P317, P362 + P364, P403 + P233, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of 5-Chloro-2-mercaptobenzoxazole?

The CAS Registry Number of 5-Chloro-2-mercaptobenzoxazole is 22876-19-3. It is also known as 5-Chlorobenzo[d]oxazole-2-thiol, 2(3H)-Benzoxazolethione, 5-chloro-, 5-Chloro-2-thioxobenzoxazoline.

What is the molecular formula and molecular weight of 5-Chloro-2-mercaptobenzoxazole?

5-Chloro-2-mercaptobenzoxazole has the molecular formula C7H4ClNOS and a molecular weight of 185.63 g/mol. Its IUPAC name is 5-chloro-3H-1,3-benzoxazole-2-thione.

What is 5-Chloro-2-mercaptobenzoxazole used for?

5-Chloro-2-mercaptobenzoxazole is supplied as a characterised reference material related to Suvorexant. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of 5-Chloro-2-mercaptobenzoxazole can I order?

We supply 5-Chloro-2-mercaptobenzoxazole in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 5-Chloro-2-mercaptobenzoxazole?

Yes. Every lot of 5-Chloro-2-mercaptobenzoxazole is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can 5-Chloro-2-mercaptobenzoxazole be shipped internationally?

Yes. 5-Chloro-2-mercaptobenzoxazole is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.