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4-METHOXY-2-NITROPHENYL ISOCYANATE 97, with the molecular formula C8H6N2O4, is a yellow to brown solid chemical compound. It is highly reactive and serves as a crucial intermediate in various organic synthesis processes. Due to its potent irritant properties to the skin, eyes, and respiratory system, it requires careful handling and adherence to proper safety measures.

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  • 117162-85-3 Structure
  • Basic information

    1. Product Name: 4-METHOXY-2-NITROPHENYL ISOCYANATE 97
    2. Synonyms: 4-METHOXY-2-NITROPHENYL ISOCYANATE 97;Benzene, 1-isocyanato-4-methoxy-2-nitro- (9CI);1-isocyanato-4-methoxy-2-nitrobenzene
    3. CAS NO:117162-85-3
    4. Molecular Formula: C8H6N2O4
    5. Molecular Weight: 194.14424
    6. EINECS: N/A
    7. Product Categories: ISOCYANATE;Isocyanates;Nitrogen Compounds;Organic Building Blocks
    8. Mol File: 117162-85-3.mol
  • Chemical Properties

    1. Melting Point: 79-82 °C(lit.)
    2. Boiling Point: 330.1°C at 760 mmHg
    3. Flash Point: 153.4°C
    4. Appearance: /
    5. Density: 1.33g/cm3
    6. Vapor Pressure: 0.00017mmHg at 25°C
    7. Refractive Index: 1.566
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 4-METHOXY-2-NITROPHENYL ISOCYANATE 97(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-METHOXY-2-NITROPHENYL ISOCYANATE 97(117162-85-3)
    12. EPA Substance Registry System: 4-METHOXY-2-NITROPHENYL ISOCYANATE 97(117162-85-3)
  • Safety Data

    1. Hazard Codes: Xn
    2. Statements: 20/21/22-36/37/38
    3. Safety Statements: 22-26-36
    4. RIDADR: UN 3335
    5. WGK Germany: 3
    6. RTECS:
    7. HazardClass: IRRITANT
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 117162-85-3(Hazardous Substances Data)

117162-85-3 Usage

Uses

Used in Agricultural Chemicals Production:
4-METHOXY-2-NITROPHENYL ISOCYANATE 97 is used as a key intermediate in the synthesis of agricultural chemicals. Its reactivity allows for the creation of various compounds that are effective in controlling pests and improving crop yields.
Used in Dye Manufacturing:
In the dye industry, 4-METHOXY-2-NITROPHENYL ISOCYANATE 97 is utilized as an intermediate for the production of dyes. Its chemical properties contribute to the development of dyes with specific color characteristics and stability.
Used in Pharmaceutical Industry:
4-METHOXY-2-NITROPHENYL ISOCYANATE 97 is employed as an intermediate in the synthesis of pharmaceuticals. Its reactive nature enables the production of a range of medicinal compounds, potentially leading to new treatments and therapies.
In all applications, due to the compound's irritant nature, it is imperative that 4-METHOXY-2-NITROPHENYL ISOCYANATE 97 is handled with care, using appropriate safety equipment and procedures to minimize health and environmental risks.

Check Digit Verification of cas no

The CAS Registry Mumber 117162-85-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,7,1,6 and 2 respectively; the second part has 2 digits, 8 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 117162-85:
(8*1)+(7*1)+(6*7)+(5*1)+(4*6)+(3*2)+(2*8)+(1*5)=113
113 % 10 = 3
So 117162-85-3 is a valid CAS Registry Number.
InChI:InChI=1/C8H6N2O4/c1-14-6-2-3-7(9-5-11)8(4-6)10(12)13/h2-4H,1H3

117162-85-3 Well-known Company Product Price

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  • Aldrich

  • (512036)  4-Methoxy-2-nitrophenylisocyanate  97%

  • 117162-85-3

  • 512036-10G

  • 1,326.78CNY

  • Detail

117162-85-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-Isocyanato-4-methoxy-2-nitrobenzene

1.2 Other means of identification

Product number -
Other names 4-Methoxy-2-nitrophenyl isocyanate

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:117162-85-3 SDS

117162-85-3Relevant articles and documents

MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE

-

Paragraph 0781; 0782; 0805, (2017/09/20)

Provided herein are maytansinoid compounds, derivatives thereof, conjugates thereof, and methods of treating or preventing proliferative diseases with the same.

A simple and efficient synthesis of diaryl ureas with reduction of the intermediate isocyanate by triethylamine

Zhou, Shuguang,Yao, Ting,Yi, Jicheng,Li, Dashuai,Xiong, Jing

, p. 315 - 319 (2013/07/27)

Thirty symmetrical diaryl urea derivatives were synthesised in moderate to excellent yields from arylamine and triphosgene with triethylamine as a reducing agent for the intermediate, isocyanate. It was significant that part of the products could be collected in almost quantitative yield without column chromatography. The procedure under mild reaction conditions was tolerant of a wide range of functional groups. The structures of the compounds were determined by NMR, MS and X-ray crystallographic analyses.

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