Skip to Content
Merck
CN

Key Documents

View All Documentation

61427

Benzothiazole

analytical standard

Sign In to View Organizational & Contract Pricing.

Select a Size

Change View

About This Item

Empirical Formula (Hill Notation):
C7H5NS
CAS Number:
95-16-9
Molecular Weight:
135.19
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
329759489
EC Number:
202-396-2
Beilstein/REAXYS Number:
109468
MDL number:
MFCD00005775
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

grade

analytical standard

Quality Level

100

vapor density

4.66 (vs air)

vapor pressure

34 mmHg ( 131 °C)

assay

≥97.0% (GC)

shelf life

limited shelf life, expiry date on the label

impurities

≤0.1% aniline, ≤5.0% water

refractive index

n20/D 1.639-1.645, n20/D 1.642 (lit.)

bp

231 °C (lit.)

mp

2 °C (lit.)

density

1.238 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

format

neat

SMILES string

c1ccc2scnc2c1

InChI

1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H

InChI key

IOJUPLGTWVMSFF-UHFFFAOYSA-N

General description

Benzothiazole is a naturally occurring bicyclic heteroaromatic compound with various pharmacological activities including anticancer, antimicrobial, anticonvulsant, antiviral, antitubercular, antimalarial, antihelmintic, analgesic, anti-inflammatory, antidiabetic, and fungicidal effects. It is also a known aroma constituent of tea leaves and cranberries.

Application

Benzothiazole may be used as an analytical standard for the determination of the analyte in clothing textile samples, environmental water samples, and grapes/wine by various chromatography-based techniques.

Other Notes

Ion Mobility: TWCCSN2 value of 121.0 Å2 [M+H]+

The collision cross section (CCS) measurement was provided by Waters Corporation, using the SYNAPT XS mass spectrometer.
For a description and overview of how ion mobility enables the measurement of the CCS of an ion visit ims.waters.com

Further information on the SYNAPT XS mass spectrometer can be found on the IMS microsite and product webpage.

TWCCS measurements are expected to be within 2% of this reference value.

P/N 61427 is part of the Waters Extractables & Leachables UNIFI scientific library which can be downloaded from Waters Marketplace.

Still not finding the right product?

Explore all of our products under Benzothiazole

signalword

Danger

pictograms

Skull and crossbones
GHS06

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Acute Tox. 4 Inhalation - Eye Irrit. 2

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 2

flash_point_f

224.6 °F - Pensky-Martens closed cup

flash_point_c

107 °C - Pensky-Martens closed cup

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
BCCG8753
BCCC2416
BCBV7095

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Bioactive thiazole and benzothiazole derivatives
Rouf A and Tanyeli C
European Journal of Medicinal Chemistry, 97, 911-927 (2015)
Determination of benzothiazole in grapes and wines
Karagiannis S, et al.
ONEO one, 34(2), 69-73 (2000)
Attilio Naccarato et al.
Journal of chromatography. A, 1338, 164-173 (2014-03-19)
This work proposes a new approach for the simultaneous determination of benzothiazoles, benzotriazoles and benzosulfonamides in different environmental matrices and human urine, using solid-phase microextraction coupled with gas-chromatography-triple quadrupole mass spectrometry (SPME-GC-QqQMS). The analytes object of this investigation have been

Global Trade Item Number

SKUGTIN
61427-100MG04061832700168