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2-Fluoro-5-nitrophenylacetonitrile is a chemical compound with a molecular formula of C8H4FNO3. It is characterized by a specific arrangement of atoms, featuring a fluorine atom, a nitro group, and a nitrile group attached to a phenyl ring. 2-Fluoro-5-nitrophenylacetonitrile falls under the category of organofluorines and is prominently involved in various organic synthesis processes. Its physical and chemical properties, including its reactivity or toxicity, can be analyzed using spectroscopic methods.

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  • 1000339-92-3 Structure
  • Basic information

    1. Product Name: 2-Fluoro-5-nitrophenylacetonitrile
    2. Synonyms: 2-Fluoro-5-nitrophenylacetonitrile;Benzeneacetonitrile, 2-fluoro-5-nitro-;2-(2-Fluoro-5-nitrophenyl)acetonitrile
    3. CAS NO:1000339-92-3
    4. Molecular Formula: C8H5FN2O2
    5. Molecular Weight: 180.1359032
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1000339-92-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 334.7 °C at 760 mmHg
    3. Flash Point: 156.2 °C
    4. Appearance: /
    5. Density: 1.367 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 2-Fluoro-5-nitrophenylacetonitrile(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2-Fluoro-5-nitrophenylacetonitrile(1000339-92-3)
    11. EPA Substance Registry System: 2-Fluoro-5-nitrophenylacetonitrile(1000339-92-3)
  • Safety Data

    1. Hazard Codes: T
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1000339-92-3(Hazardous Substances Data)

1000339-92-3 Usage

Uses

Used in Chemical Research and Production:
2-Fluoro-5-nitrophenylacetonitrile is used as an intermediate in the synthesis of various organic compounds for chemical research and production. Its unique structure and reactivity make it a valuable component in the development of new chemical entities and materials.
Used in Pharmaceutical Industry:
2-Fluoro-5-nitrophenylacetonitrile is used as a building block in the synthesis of pharmaceutical compounds. Its presence in the molecular structure can influence the properties and efficacy of the final drug product, making it an important component in the development of new medications.
Used in Material Science:
2-Fluoro-5-nitrophenylacetonitrile is used as a precursor in the development of advanced materials, such as polymers and composites, with tailored properties for specific applications in material science. Its incorporation into these materials can enhance their performance and expand their potential uses.
Used in Agrochemical Industry:
2-Fluoro-5-nitrophenylacetonitrile is used as a key component in the synthesis of agrochemicals, such as pesticides and herbicides. Its role in these compounds can contribute to their effectiveness in controlling pests and weeds, ultimately benefiting agricultural productivity.

Check Digit Verification of cas no

The CAS Registry Mumber 1000339-92-3 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,0,0,3,3 and 9 respectively; the second part has 2 digits, 9 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 1000339-92:
(9*1)+(8*0)+(7*0)+(6*0)+(5*3)+(4*3)+(3*9)+(2*9)+(1*2)=83
83 % 10 = 3
So 1000339-92-3 is a valid CAS Registry Number.

1000339-92-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(2-fluoro-5-nitrophenyl)acetonitrile

1.2 Other means of identification

Product number -
Other names PC8610

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:1000339-92-3 SDS

1000339-92-3Relevant articles and documents

Benzazepine Dicarboxamide Compounds

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Paragraph 0462; 0463; 0464, (2016/09/26)

This invention relates to novel benzazepine dicarboxamide compounds of the formula wherein R1 to R4 are as defined in the description and in the claims, as well as pharmaceutically acceptable salts thereof. These compounds are TLR agonists and may therefore be useful as medicaments for the treatment of diseases such as cancer, autoimmune diseases, inflammation, sepsis, allergy, asthma, graft rejection, graft-versus-host disease, immunodeficiencies, and infectious diseases.

Benzo-fused heterocycles and carbocycles by intramolecular SNAr and tandem SN2-SNAr reactions

Bunce, Richard A.,Nago, Takahiro,Sonobe, Nathan,Slaughter, LeGrande M.

, p. 551 - 557 (2008/09/18)

(Chemical Equation Presented) Benzo-fused heterocyclic and carbocyclic systems have been synthesized by intramolecular SNAr and tandem SN2-SNAr reactions. Treatment of 3-(2-fluoro-5- nitrophenyl)-1-propanol with sodium hydride in N,N-dimethylformamide gave 6-nitrochroman in 80% yield by an intramolecular SNAr reaction. Treatment of 2-(3-bromopropyl)-1-fluoro-4-nitrobenzene with benzylamine in N,N-dimethylformamide gave 1-benzyl-6-nitrotetrahydroquinoline in 98% yield by a tandem SN2-SNAr reaction. Finally, in a similar process, reaction of this same bromide with dimethyl malonate under basic conditions gave 1,1-bis(methoxycarbonyl)-6-nitro-1,2,3,4-tetrahydronaphthalene in 80% yield. Further studies exploring ring size effects are also presented.

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