Skip to Content
Merck
All Photos(1)

Documents

251844

Sigma-Aldrich

2-Bromophenyl isocyanate

97%

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

About This Item

Linear Formula:
BrC6H4NCO
CAS Number:
1592-00-3
Molecular Weight:
198.02
MDL number:
MFCD00001995
UNSPSC Code:
12352100
PubChem Substance ID:
24855160

Assay

97%

form

liquid

refractive index

n20/D 1.5838 (lit.)

bp

56-58 °C/0.05 mmHg (lit.)

density

1.607 g/mL at 25 °C (lit.)

SMILES string

Brc1ccccc1N=C=O

InChI

1S/C7H4BrNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H

InChI key

GOOVAYJIVMBWPP-UHFFFAOYSA-N

Application

2-Bromophenyl isocyanate has been used in the synthesis of:
  • α-cyclodextrin-based size-complementary [3] rotaxane with an alkylene axle
  • dihydroindole urea derivatives
  • 3-carboxamide substituted diphenylurea

Pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

Signal Word

Danger

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

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

WGK

WGK 3

Flash Point(F)

226.4 °F - closed cup

Flash Point(C)

108 °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

Qi Jin et al.
Bioorganic & medicinal chemistry letters, 14(17), 4375-4378 (2004-09-11)
A series of 3-substituted N,N'-diarylureas was prepared and the structure-activity relationship relative to CXCR2 receptor affinity as well as their pharmacokinetic properties were examined. In vitro microsomal metabolism studies indicated that the lower clearance rates of the 3-sulfonamido-substituted compounds were
Yosuke Akae et al.
Organic letters, 14(9), 2226-2229 (2012-04-24)
An α-cyclodextrin-based size-complementary [3]rotaxane with an alkylene axle was selectively synthesized in one pot via an end-capping reaction with 2-bromophenyl isocyanate in water. Thermal degradation of the [3]rotaxane product yielded not only the original components but also the [2]rotaxane. Thermodynamic
Harshad K Rami et al.
Bioorganic & medicinal chemistry letters, 16(12), 3287-3291 (2006-04-04)
Small molecule antagonists of the vanilloid receptor TRPV1 (also known as VR1) are disclosed. Pyrrolidinyl ureas such as 8 and 15 (SB-705498) emerged as lead compounds following optimisation of the previously described urea SB-452533. Pharmacological studies using electrophysiological and FLIPR-Ca2+-based

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