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253154

Sigma-Aldrich

2-Bromophenyl isothiocyanate

98%

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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

Exclamation markHealth hazard
GHS07,GHS08

signalword

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

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

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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

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