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CAS

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115706-18-8

3,4-Dichlorophenethyl isocyanate, also known as 3,4-DCPI, is a chemical compound with the molecular formula C8H6Cl2NO. It is a highly reactive and toxic compound used in the synthesis of various organic compounds, including pharmaceuticals and pesticides. 3,4-DCPI is primarily employed as an intermediate in the production of polyurethane foams, coatings, and adhesives. It is a strong irritant to the skin, eyes, and respiratory system, and exposure to this compound should be strictly controlled through the use of appropriate protective equipment and handling procedures. Additionally, 3,4-DCPI is considered hazardous to the environment and should be handled and disposed of with caution to prevent pollution and harm to ecosystems.

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  • 115706-18-8 Structure

  • Basic information

    1. Product Name: 3 4-DICHLOROPHENETHYL ISOCYANATE 97
    2. Synonyms: 3 4-DICHLOROPHENETHYL ISOCYANATE 97;Benzene, 1,2-dichloro-4-(2-isocyanatoethyl)-
    3. CAS NO:115706-18-8
    4. Molecular Formula: C9H7Cl2NO
    5. Molecular Weight: 216.066
    6. EINECS: N/A
    7. Product Categories: Isocyanates;Nitrogen Compounds;Organic Building Blocks
    8. Mol File: 115706-18-8.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 304-305 °C(lit.)
    3. Flash Point: 198 °F
    4. Appearance: /
    5. Density: 1.317 g/mL at 25 °C(lit.)
    6. Vapor Pressure: 0.00137mmHg at 25°C
    7. Refractive Index: n20/D 1.5570(lit.)
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 3 4-DICHLOROPHENETHYL ISOCYANATE 97(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3 4-DICHLOROPHENETHYL ISOCYANATE 97(115706-18-8)
    12. EPA Substance Registry System: 3 4-DICHLOROPHENETHYL ISOCYANATE 97(115706-18-8)

  • Safety Data

    1. Hazard Codes: Xn
    2. Statements: 20/21/22-36/37/38-42
    3. Safety Statements: 23-26-36-45
    4. RIDADR: NA 1993 / PGIII
    5. WGK Germany: 3
    6. RTECS:
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 115706-18-8(Hazardous Substances Data)

115706-18-8 Usage

Uses

Used in Pharmaceutical Industry:
3,4-Dichlorophenethyl isocyanate is used as a chemical intermediate for the synthesis of various pharmaceuticals. Its reactive nature allows for the formation of diverse chemical structures, contributing to the development of new drugs with potential therapeutic applications.
Used in Pesticide Industry:
3,4-Dichlorophenethyl isocyanate is used as a precursor in the production of certain pesticides. Its reactivity enables the creation of compounds with pesticidal properties, which can be utilized in agriculture to control pests and protect crops.
Used in Polyurethane Foam Production:
3,4-Dichlorophenethyl isocyanate is used as a key intermediate in the synthesis of polyurethane foams. These foams are widely used in various applications, including furniture, bedding, insulation, and automotive seating, due to their excellent properties such as durability, flexibility, and thermal insulation.
Used in Coating and Adhesive Industries:
3,4-Dichlorophenethyl isocyanate is used as a component in the formulation of coatings and adhesives. Its reactive nature allows for the development of high-performance coatings and adhesives with improved bonding strength, durability, and resistance to environmental factors.

Check Digit Verification of cas no

The CAS Registry Mumber 115706-18-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,5,7,0 and 6 respectively; the second part has 2 digits, 1 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 115706-18:
(8*1)+(7*1)+(6*5)+(5*7)+(4*0)+(3*6)+(2*1)+(1*8)=108
108 % 10 = 8
So 115706-18-8 is a valid CAS Registry Number.
InChI:InChI=1/C9H7Cl2NO/c10-8-2-1-7(5-9(8)11)3-4-12-6-13/h1-2,5H,3-4H2

115706-18-8 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
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  • Detail

  • Aldrich

  • (567906)  3,4-Dichlorophenethylisocyanate  97%

  • 115706-18-8

  • 567906-500MG

  • 1,522.17CNY

  • Detail

  • Aldrich

  • (567906)  3,4-Dichlorophenethylisocyanate  97%

  • 115706-18-8

  • 567906-1G

  • 2,880.54CNY

  • Detail

115706-18-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,2-dichloro-4-(2-isocyanatoethyl)benzene

1.2 Other means of identification

Product number -
Other names 1-isocyano-2-(3,4-dichlorophenyl)ethane

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:115706-18-8 SDS

115706-18-8Relevant articles and documents

Benzo-aza-alkyl aryl piperazine derivative and applications in preparation of drugs

-

, (2019/02/10)

The invention discloses a benzo-aza-alkyl aryl piperazine derivative and applications in preparation of drugs. The derivative shows the effect on central nervous systems, especially on the double highaffinity activity of a 5-HT acceptor and a Sigma-1 acceptor. Various physiological and pharmacological effects are brought into play in the body; and the compound can be used as a pharmaceuticalactive substance, especially used for anti-depression, anti-anxiety, anti-bipolar affective disorder and anti-neuropathic pain, and can also be used as an intermediate to prepare other pharmaceuticalactive compounds. The compound is fast in effect and small in toxic and side effect, and can meet demands of clinical applications; and the compound is a compound or a free base or salt thereof havingthe following structural formula (IV). The structure of the compound or the free base or salt thereof is shown as the structural formula (IV).

NAPHTHOL, QUINOLINE AND ISOQUINOLINE-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR

-

Page 136, (2008/06/13)

This invention is directed to vanilloid receptor VR1 ligands. More particularly, this invention relates to naphthol, quinoline and isoquinoline-derived ureas that are potent antagonists or agonists of VR1 which are useful for the treatment and prevention of inflammatory and other pain conditions in mammals.

Synthesis and Antileukemic Activity of Bismethyl>-Substituted Pyrroloisoquinolines, Pyrroloquinolines, Pyrroloisobenzazepines, and Pyrrolobenzazepines

Anderson, Wayne K.,Heider, Arvela R.,Raju, Natarajan,Yucht, Jeffery A.

, p. 2097 - 2102 (2007/10/02)

A series of bismethyl>-substituted pyrrole-fused tricyclic heterocycles were synthesized by using 1,3-dipolar cycloaddition reactions with a trifluoromethanesulfonate salt of an appropriate Resissert compound or with a mesoionic oxazolone intermediate.All of the bis(carbamates) were active in vivo against P388 lymphocytic leukemia with 5,6-dihydro-8-methoxy-1,2-bis(hydroxymethyl)pyrroloisoquinoline bis (3c) showing the highest level of activity.

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