2612-57-9

Basic information

• Product Name: 2,4-Dichlorophenyl isocyanate
• Synonyms: TIMTEC-BB SBB006720;2,4-Dichlorophenylisocyantae;2,4-DICHLOROPHENYL ISOCYANATE 99%;2,4-Dichlorophenyl isocyanate,99%;Benzene,2,4-dichloro-1-isocyanato-;ISOCYANIC ACID 2,4-DICHLOROPHENYL ESTER;2,4-DICHLOROISOCYANATOBENZENE;2,4-DICHLOROPHENYL ISOCYANATE
• CAS NO: 2612-57-9
• Molecular Formula: C₇H₃Cl₂NO
• Molecular Weight: 188.01
• EINECS: 220-040-4
• Product Categories: Isocyanates;Nitrogen Compounds;Organic Building Blocks
• Mol File: 2612-57-9.mol
• Article Data: 9

Chemical Properties

• Melting Point: 59-60 °C
• Boiling Point: 80°C 1mm
• Flash Point: 80°C/1mm
• Appearance: white to beige crystalline solid
• Density: 1.3256 (rough estimate)
• Vapor Pressure: 0.0506mmHg at 25°C
• Refractive Index: 1.5500 (estimate)
• Storage Temp.: Store at
• Water Solubility: decomposes
• Sensitive: Moisture Sensitive
• BRN: 2090780
• CAS DataBase Reference: 2,4-Dichlorophenyl isocyanate(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4-Dichlorophenyl isocyanate(2612-57-9)
• EPA Substance Registry System: 2,4-Dichlorophenyl isocyanate(2612-57-9)

Safety Data

• Hazard Codes: T,Xi
• Statements: 42-36/37/38-23/24/25-42/43
• Safety Statements: 45-38-36/37/39-28A-26-22
• RIDADR: 2250
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: II
• Hazardous Substances Data: 2612-57-9(Hazardous Substances Data)

Usage

Chemical Properties

Different sources of media describe the Chemical Properties of 2612-57-9 differently. You can refer to the following data:
1. white to beige crystalline solid
2. The dichlorophenyl isocyanates are combustible, crystalline (sugar or sand-like) solids. In general, they are white to yellow in color, but the 1,4-dichloro-2-phenyl isomer is white to light green. Their flash points are generally .113C but that of the 1,3-dichloro-2-phenyl isomer is reported as 77C. These chemicals are insoluble in water, and some may be reactive. 1,2-dichloro-4-isomer (CAS 102-36-3) is the isomer of regulatory focus

Potential Exposure

Those materials used as chemical intermediates

Shipping

UN2250 Dichlorophenyl isocyanates, Hazard Class: 6.1; Labels: 6.1-Poisonous materials.

Incompatibilities

May form explosive mixture with air. Isocyanates are highly flammable and reactive with many compounds, even with themselves. Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Reaction with moist air, water or alcohols may form amines and insoluble polyureas and react exothermically, releasing toxic, corrosive or flammable gases, including carbon dioxide; and, at the same time, may generate a violent release of heat increasing theconcentration of fumes in the air. Incompatible with amines, aldehydes, alkali metals, ammonia, carboxylic acids, caprolactum, alkaline materials, glycols, ketones, mercaptans, hydrides, organotin catalysts, phenols, strong acids, strong bases, strong reducing agents such as hydrides, urethanes, and ureas. Elevated temperatures or contact with acids, bases, tertiary amines, and acylchlorides may cause explosive polymerization. Contact with metals may evolve flammable hydrogen gas. Attacks some plastics, rubber, and coatings.

Waste Disposal

Combustion in an incinerator equipped with afterburner and fume scrubber

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

Upstream product

• 62-53-3 aniline 
• 5398-44-7 2,6-dichloropyridine-4-carboxylic acid 
• 2447-79-2 2,4-dichlorobenzamide 
• 75-44-5 phosgene 
• 554-00-7 2,4-Dichloroaniline 
• 102-07-8 bis(diphenyl)urea 
• 7782-50-5 chlorine 
• 103-71-9 phenyl isocyanate 
• 32315-10-9 bis(trichloromethyl) carbonate 
• 36441-29-9 14-phenyl-14H-dibenzo[a.j]xanthene 
• 79-34-5 1,1,2,2-tetrachloroethane 

Downstream Products

• 55268-52-5 2,2',4,4'-tetrachlorocarbanilide 
• 1027298-60-7 1-(2,4-dichloro-phenyl)-3-[2-(1-tritylsulfanyl-1H-imidazol-4-yl)-ethyl]-urea 
• 440672-68-4 1-[1-(3-chloro-pyrazin-2-yl)-ethyl]-3-(2,4-dichloro-phenyl)-urea 
• 440672-69-5 1-[1-(3-chloro-pyrazin-2-yl)-propyl]-3-(2,4-dichloro-phenyl)-urea 
• 440672-70-8 1-[1-(3-chloro-pyrazin-2-yl)-butyl]-3-(2,4-dichloro-phenyl)-urea 
• 731842-75-4 (2,4-dichloro-phenyl)-(2,3,4,5-tetrapropyl-cyclopenta-2,4-dienylidene)-amine 

Relevant articles and documents

Synthesis and in vitro anti-bladder cancer activity evaluation of quinazolinyl-arylurea derivatives

Based on the structural modification of molecular-targeted agent sorafenib, a series of quinazolinyl-arylurea derivatives were synthesized and evaluated for their anti-proliferative activities against six human cancer cell lines. Compared with other cell lines tested, T24 was more sensitive to most compounds. Compound 7j exhibited the best profile with lower IC50 value and favorable selectivity. In this study, we focused on 7j-induced death forms of T24 cells and tried to elucidate the reason for its potent proliferative inhibitory activity. Compound 7j treatment could trigger three different cell death forms including apoptosis, ferroptosis, and autophagy; which form would occur depended on the concentrations and incubation time of 7j: (1) Lower concentrations within the initial 8 h of 7j treatment led to apoptosis-dependent death. (2) Ferroptosis and autophagy occurred in the case of higher concentrations combining with extended incubation time through effectively regulating the Sxc?/GPx4/ROS and PI3K/Akt/mTOR/ULK1 pathways, respectively. (3) The above death forms were closely associated with intracellular ROS generation and decreased mitochondrial membrane potential induced by 7j. In molecular docking and structure-activity relationship analyses, 7j could bind well to the active site of the corresponding receptor glutathione peroxidase 4 (GPx4). Compound 7j could be a promising lead for molecular-targeted anti-bladder cancer agents’ discovery.

With anti-tumor effect of a quinazoline-urea derivative and its application (by machine translation)

The present invention relates to a of the general formula (II) anti-tumor function of said quinazoline-urea derivative and its application. The definition of the substituent in the general formula (II) in the specification. This invention, in order to SUO draw non-Buddhist nun and Geftinat compounds as the precursor, retention of SUO draw non-Buddhist nun the pharmocology-carbamido; at the same time, such as in reserved [...] EGFR-TKIs Geftinat, synthesis, and obtain a series of quinazoline-urea derivatives, by the in vitro activity tests, some compounds exhibit excellent anti-tumor activity, such derivatives have high research and utility value. (II). (by machine translation)

New sphingosine 1-receptor antagonist

The present invention relates to sphingosine-1-phosphate (S1P) receptors and compounds of the general formula: that are useful in the treatment and prevention of conditions associated with such receptors. More specifically, the present invention relates to the synthesis and use of sphingosine 1-phosphate receptor 2 (S1P2) antagonists that are useful in the treatment of cancer, atherosclerosis, diabetic retinopathy, and other inflammatory diseases. Among these inflammatory diseases that could be treated with these S1P2 antagonist are those characterized by fibrosis including chronic lung disease, chronic kidney and liver disease, chronic heart disease, and skin diseases such as sclerosis/scleroderma. The S1P2 antagonists can also be used in the treatment of glioblastoma multiforme (brain cancer), pediatric neuroblastoma, and other cancers.