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253154

2-Bromophenyl isothiocyanate

Name: 2-Bromophenyl isothiocyanate
Brand: ALDRICH

98%

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About This Item

Linear Formula:

BrC₆H₄NCS

CAS Number:

13037-60-0

Molecular Weight:

214.08

NACRES:

NA.22

PubChem Substance ID:

24855297

UNSPSC Code:

12352100

MDL number:

MFCD00004799

Assay:

98%

Form:

liquid

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Properties

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.)

functional group

bromo, isothiocyanate

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

Description

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

GHS08,GHS07

signalword

Danger

hcodes

H302 + H312 + H332,H315,H319,H334,H335

pcodes

P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338

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

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

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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)

Studies on Isoniazid Derivatives through a Medicinal Chemistry Approach for the Identification of New Inhibitors of Urease and Inflammatory Markers.

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

Global Trade Item Number

SKU	GTIN
253154-5G	04061837803888