245607

Sigma-Aldrich

3,4-Dichlorophenyl isocyanate

97%

Linear Formula:
Cl2C6H3NCO
CAS Number:
Molecular Weight:
188.01
Beilstein/REAXYS Number:
608325
EC Number:
MDL number:
PubChem Substance ID:
Pricing and availability is not currently available.

Quality Level

vapor pressure

0.2 mmHg ( 20 °C)

assay

97%

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

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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.

Packaging

10 g in glass bottle

Pictograms

Skull and crossbonesHealth hazard

Signal Word

Danger

Target Organs

Respiratory system

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

UN 2250 6.1 / PGII

WGK Germany

WGK 2

Flash Point(F)

253.4 °F - closed cup

Flash Point(C)

123 °C - closed cup

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)

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