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Merck
CN

389056

3,5-Dichlorophenyl isocyanate

96%

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About This Item

Linear Formula:
Cl2C6H3NCO
CAS Number:
Molecular Weight:
188.01
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
252-276-9
MDL number:
Assay:
96%
Form:
solid
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Quality Level

assay

96%

form

solid

mp

32-34 °C (lit.)

density

1.38 g/mL at 25 °C (lit.)

functional group

chloro, isocyanate

SMILES string

Clc1cc(Cl)cc(c1)N=C=O

InChI

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

InChI key

XEFUJGURFLOFAN-UHFFFAOYSA-N

Application

3,5-Dichlorophenyl isocyanate can be used:
  • As a reactant to synthesize 3-(3,5-Dichlorophenyl)-2,4-oxazolidinedione (DCPO).
  • To synthesize phenylcarbamate derivatives of cellulose and amylose, which are useful as polysaccharide-based chiral stationary phases (CSPs).{70]



signalword

Danger

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

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

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

Regulatory Information

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Synthesis and chiral recognition of amylose derivatives bearing regioselective phenylcarbamate substituents at 2, 6-and 3-positions for high-performance liquid chromatography.
Shen J, et al.
Journal of Chromatography A, 1467, 199-205 (2016)
Nephrotoxic and hepatotoxic potential of imidazolidinedione-, oxazolidinedione-and thiazolidinedione-containing analogues of N-(3, 5-dichlorophenyl) succinimide (NDPS) in Fischer 344 rats.
Kennedy E, et al.
Toxicology, 186(1-2), 79-91 (2003)
Synthesis of regioselectively substituted cellulose derivatives and applications in chiral chromatography.
Acemoglu M, et al.
Chirality, 10(4), 294-306 (1998)



Global Trade Item Number

SKUGTIN
389056-5G04061836826710