Skip to Content
Merck
All Photos(2)

Key Documents

245607

Sigma-Aldrich

3,4-Dichlorophenyl isocyanate

97%

Sign Into View Organizational & Contract Pricing


About This Item

Linear Formula:
Cl2C6H3NCO
CAS Number:
Molecular Weight:
188.01
Beilstein:
608325
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

vapor pressure

0.2 mmHg ( 20 °C)

Quality Level

Assay

97%

form

solid

bp

118-120 °C/18 mmHg (lit.)

mp

41-43 °C (lit.)

SMILES string

Clc1ccc(cc1Cl)N=C=O

InChI

1S/C7H3Cl2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H

InChI key

MFUVCHZWGSJKEQ-UHFFFAOYSA-N

Looking for similar products? Visit Product Comparison Guide

Application

3,4-Dichlorophenyl isocyanate was used in the synthesis of 1,5-disubstituted-2-thiobiuret derivatives via reaction with thioureido-containing aromatic/heterocyclic sulfonamides.

Signal Word

Danger

Hazard Classifications

Acute Tox. 2 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Resp. Sens. 1 - Skin Sens. 1A - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

Flash Point(F)

253.4 °F - closed cup

Flash Point(C)

123 °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

Carbonic anhydrase inhibitors-Part 49: Synthesis of substituted ureido and thioureido derivatives of aromatic/heterocyclic sulfonamides with increased affinities for isozyme I.
Supuran CT, et al.
European Journal of Medicinal Chemistry, 33(2), 83-93 (1998)
Neepa Choksi et al.
Cutaneous and ocular toxicology, 39(3), 180-192 (2020-06-27)
OptiSafe is an in chemico test method that identifies potential eye irritants based on macromolecular damage following test chemical exposure. The OptiSafe protocol includes a prescreen assessment that identifies test chemicals that are outside the applicability domain of the test

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