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CAS

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80460-02-2

3-Nitrovalerophenone is a yellow solid chemical compound that belongs to the category of nitro compounds. It is characterized by a strong odor and is considered a hazardous chemical due to its potential health effects, which include irritation to the skin, eyes, and respiratory system. With a molecular formula of C11H11NO3 and a molecular weight of 205.21 g/mol, this compound is primarily used as an intermediate in the synthesis of various pharmaceuticals and fine chemicals.

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  • 80460-02-2 Structure

  • Basic information

    1. Product Name: 3-Nitrovalerophenone
    2. Synonyms: 3-NITROVALEROPHENONE;4-NITROVALEROPHENONE
    3. CAS NO:80460-02-2
    4. Molecular Formula: C11H13NO3
    5. Molecular Weight: 207.23
    6. EINECS: 604-604-1
    7. Product Categories: N/A
    8. Mol File: 80460-02-2.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 343.8 °C at 760 mmHg
    3. Flash Point: 159.8 °C
    4. Appearance: /
    5. Density: 1.128 g/cm3
    6. Vapor Pressure: 6.85E-05mmHg at 25°C
    7. Refractive Index: 1.523
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 3-Nitrovalerophenone(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-Nitrovalerophenone(80460-02-2)
    12. EPA Substance Registry System: 3-Nitrovalerophenone(80460-02-2)

  • Safety Data

    1. Hazard Codes: N/A
    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: 80460-02-2(Hazardous Substances Data)

80460-02-2 Usage

Uses

Used in Pharmaceutical Industry:
3-Nitrovalerophenone is used as a chemical intermediate for the synthesis of various pharmaceuticals and fine chemicals. Its unique chemical properties and reactivity make it a valuable component in the development of new drugs and therapeutic agents.
Used in Chemical Synthesis:
In the field of chemical synthesis, 3-Nitrovalerophenone serves as a key intermediate in the production of a wide range of compounds. Its versatility in reactions allows for the creation of diverse chemical entities, contributing to the advancement of the chemical industry.
It is important to handle and store 3-Nitrovalerophenone with caution, following proper safety protocols and guidelines to minimize the risk of exposure and adverse effects on human health and the environment.

Check Digit Verification of cas no

The CAS Registry Mumber 80460-02-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,0,4,6 and 0 respectively; the second part has 2 digits, 0 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 80460-02:
(7*8)+(6*0)+(5*4)+(4*6)+(3*0)+(2*0)+(1*2)=102
102 % 10 = 2
So 80460-02-2 is a valid CAS Registry Number.
InChI:InChI=1/C11H13NO3/c1-2-10(12(14)15)8-11(13)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3

80460-02-2SDS

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 3-nitro-1-phenylpentan-1-one

1.2 Other means of identification

Product number -
Other names 3-Nitro-1-phenyl-1-pentanone

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:80460-02-2 SDS

80460-02-2Relevant articles and documents

The Synthesis of 1,4-Diketones via Fluoride-catalysed Michael Addition and Supported-permanganate-promoted Nef Transformation

Clark, James H.,Cork, David G.,Gibbs, Hugh W.

, p. 2253 - 2258 (2007/10/02)

A versatile synthetic route for the preparation of 1,4-diketones from simple starting materials is described and applied to the preparation of a wide range of diketones.The two most important steps in the reaction are the fluoride ion-catalysed Michael addition of a nitroalkane to a vinyl ketone and the subsequent transformation of the nitro ketone to the diketone using supported permanganate as the oxidant.The interaction of F- with nitroethane has been studied and a number of sources of F- have been tested in the Michael addition reaction.Potassium fluoride supported on alumina and potassium permanganate supported on silica gel are remarkably efficient reagents for the Michael addition and Nef transformation stages, respectively, although it is important to determine the best reagent loadings and drying conditions for maximum reaction efficiency to be achieved.

Synthesis of 1,4-Diketones by Fluoride-catalysed Michael Addition and Supported Permanganate Oxidation

Clark, James H.,Cork, David G.

, p. 635 - 636 (2007/10/02)

A wide variety of 1,4-diketones may be prepared from simple starting materials by using fluoride ion-catalysed Michael additions and silica gel-supported permanganate-promoted Nef transformations.

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