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2-Fluoro-5-nitrophenyl isocyanate is a chemical compound characterized by its molecular formula C7H3FN2O3. It is a yellow solid with a strong odor and is highly reactive and toxic. As a derivative of isocyanate, it exhibits reactivity towards nucleophiles and can form ureas through reactions with amines. Due to its potential health hazards, it should be handled with extreme caution. Its reactivity and ability to modify molecules make it a valuable tool in chemical synthesis and research.

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  • 68622-14-0 Structure
  • Basic information

    1. Product Name: 2-FLUORO-5-NITROPHENYL ISOCYANATE
    2. Synonyms: 2-FLUORO-5-NITROPHENYL ISOYCANATE;1-fluoro-2-isocyanato-4-nitrobenzene;2-FLUORO-5-NITROPHENYL ISOCYANATE;Benzene, 1-fluoro-2-isocyanato-4-nitro- (9CI)
    3. CAS NO:68622-14-0
    4. Molecular Formula: C7H3FN2O3
    5. Molecular Weight: 182.11
    6. EINECS: N/A
    7. Product Categories: ISOCYANATE;Isocyanates;Nitrogen Compounds;Organic Building Blocks
    8. Mol File: 68622-14-0.mol
  • Chemical Properties

    1. Melting Point: 50-55 °C(lit.)
    2. Boiling Point: 274.4°Cat760mmHg
    3. Flash Point: >230 °F
    4. Appearance: /
    5. Density: 1.43g/cm3
    6. Vapor Pressure: 0.00542mmHg at 25°C
    7. Refractive Index: 1.57
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 2-FLUORO-5-NITROPHENYL ISOCYANATE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-FLUORO-5-NITROPHENYL ISOCYANATE(68622-14-0)
    12. EPA Substance Registry System: 2-FLUORO-5-NITROPHENYL ISOCYANATE(68622-14-0)
  • Safety Data

    1. Hazard Codes: Xn,T,Xi
    2. Statements: 20/21/22-36/37/38
    3. Safety Statements: 26-36
    4. RIDADR: 2206
    5. WGK Germany: 3
    6. RTECS:
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 68622-14-0(Hazardous Substances Data)

68622-14-0 Usage

Uses

Used in Pharmaceutical Synthesis:
2-Fluoro-5-nitrophenyl isocyanate is used as a key intermediate in the synthesis of pharmaceuticals for its reactivity and ability to modify molecular structures. It aids in the development of new drugs by facilitating the formation of ureas and other functional groups that are essential in medicinal chemistry.
Used in Agrochemical Synthesis:
In the agrochemical industry, 2-Fluoro-5-nitrophenyl isocyanate is utilized as a precursor in the synthesis of various agrochemicals. Its reactivity allows for the creation of new compounds with potential applications in pest control, crop protection, and other agricultural areas.
Used in Chemical Research:
2-Fluoro-5-nitrophenyl isocyanate serves as a valuable research tool in chemical laboratories. Its reactivity with nucleophiles and ability to form ureas make it useful for studying reaction mechanisms, exploring new synthetic pathways, and developing innovative chemical processes.

Check Digit Verification of cas no

The CAS Registry Mumber 68622-14-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,8,6,2 and 2 respectively; the second part has 2 digits, 1 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 68622-14:
(7*6)+(6*8)+(5*6)+(4*2)+(3*2)+(2*1)+(1*4)=140
140 % 10 = 0
So 68622-14-0 is a valid CAS Registry Number.
InChI:InChI=1/C7H3FN2O3/c8-6-2-1-5(10(12)13)3-7(6)9-4-11/h1-3H

68622-14-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-fluoro-2-isocyanato-4-nitrobenzene

1.2 Other means of identification

Product number -
Other names 2-Fluoro-5-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:68622-14-0 SDS

68622-14-0Upstream product

68622-14-0Downstream Products

68622-14-0Relevant articles and documents

MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE

-

Paragraph 0781; 0782; 0802, (2017/09/20)

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

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