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245607

Sigma-Aldrich

3,4-Dichlorophenyl isocyanate

97%

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About This Item

Linear Formula:
Cl2C6H3NCO
CAS Number:
102-36-3
Molecular Weight:
188.01
Beilstein:
608325
EC Number:
203-026-2
MDL number:
MFCD00002017
UNSPSC Code:
12352100
PubChem Substance ID:
24854744
NACRES:
NA.22

vapor pressure

0.2 mmHg ( 20 °C)

Quality Level

100

Assay

97%

form

solid

bp

118-120 °C/18 mmHg (lit.)

mp

41-43 °C (lit.)

functional group

chloro
isocyanate

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.

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

245607-BULK:
245607-10G:
245607-VAR:
245607-50G:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCV2439
MKCR6759
MKCN9318
MKCN6751
MKCK4875

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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

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