Skip to Content
Merck
All Photos(1)

Key Documents

More Documents

253154

Sigma-Aldrich

2-Bromophenyl isothiocyanate

98%

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
BrC6H4NCS
CAS Number:
13037-60-0
Molecular Weight:
214.08
MDL number:
MFCD00004799
UNSPSC Code:
12352100
PubChem Substance ID:
24855297
NACRES:
NA.22

Quality Level

100

Assay

98%

form

liquid

refractive index

n20/D 1.6843 (lit.)

bp

257 °C/770 mmHg (lit.)

density

1.591 g/mL at 25 °C (lit.)

SMILES string

Brc1ccccc1N=C=S

InChI

1S/C7H4BrNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H

InChI key

PAFORXDSYWMYGP-UHFFFAOYSA-N

Related Categories

Application

2-Bromophenyl isothiocyanate has been used in the synthesis of 4-monosubstituted and 4,4-disubstituted 1,4-dihydro-3,1-benzoxazine-2-thiones.

Pictograms

Health hazardExclamation mark
GHS08,GHS07

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

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

Visit the Document Library

One-pot synthesis of 1, 4-dihydro-3, 1-benzoxazine-2-thiones by the reaction of 2-lithiophenyl isothiocyanates with aldehydes or ketones.
Kobayashi K, et al.
Tetrahedron, 66(48), 9336-9339 (2010)
Fazila Rizvi et al.
Scientific reports, 9(1), 6738-6738 (2019-05-03)
A library of thiosemicarbazide derivatives of isoniazid 3-27, was synthesized and evaluated for their anti-inflammatory and urease inhibition activities, by using in vitro bioassays. Among these compounds 9, 10, 12, 21, and 26 were identified as new derivatives. Prolonged use

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service