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2-Benzoylcyclopropanecarboxylic acid is a carboxylic acid derivative with the molecular formula C13H10O3, featuring a benzoyl group attached to a cyclopropane ring. It is a chemical compound with unique structure and properties, making it a valuable intermediate in the synthesis of pharmaceuticals, agrochemicals, dyes, and pigments.

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  • 1601-81-6 Structure
  • Basic information

    1. Product Name: 2-benzoylcyclopropanecarboxylic acid
    2. Synonyms: 2-benzoylcyclopropanecarboxylic acid;cis-2-Benzoyl-cyclopropanecarboxylic acid
    3. CAS NO:1601-81-6
    4. Molecular Formula: C11H10O3
    5. Molecular Weight: 190.1953
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1601-81-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 369.8°Cat760mmHg
    3. Flash Point: 191.7°C
    4. Appearance: /
    5. Density: 1.334g/cm3
    6. Vapor Pressure: 4.01E-06mmHg at 25°C
    7. Refractive Index: 1.612
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 2-benzoylcyclopropanecarboxylic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-benzoylcyclopropanecarboxylic acid(1601-81-6)
    12. EPA Substance Registry System: 2-benzoylcyclopropanecarboxylic acid(1601-81-6)
  • 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: 1601-81-6(Hazardous Substances Data)

1601-81-6 Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
2-Benzoylcyclopropanecarboxylic acid is used as a key intermediate in the synthesis of various pharmaceuticals and agrochemicals. Its unique structure and properties contribute to the development of new and effective compounds for medical and agricultural applications.
Used in Dye and Pigment Production:
2-Benzoylcyclopropanecarboxylic acid is utilized in the production of dyes and pigments, providing a wide range of colors and properties for various industries, such as textiles, plastics, and printing inks.
Used in Medicinal Chemistry:
Due to its unique structure, 2-benzoylcyclopropanecarboxylic acid has potential applications in medicinal chemistry, where it can be used to develop new drugs with improved efficacy and selectivity.
Used in Material Science:
2-Benzoylcyclopropanecarboxylic acid also has potential applications in material science, where its unique properties can be harnessed to create new materials with specific characteristics for various applications.
Safety and Disposal:
It is important to handle and dispose of 2-benzoylcyclopropanecarboxylic acid properly, as it can be hazardous to human health and the environment if not managed safely. Proper safety measures and disposal methods should be followed to minimize any potential risks associated with 2-benzoylcyclopropanecarboxylic acid.

Check Digit Verification of cas no

The CAS Registry Mumber 1601-81-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,6,0 and 1 respectively; the second part has 2 digits, 8 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 1601-81:
(6*1)+(5*6)+(4*0)+(3*1)+(2*8)+(1*1)=56
56 % 10 = 6
So 1601-81-6 is a valid CAS Registry Number.
InChI:InChI=1/C11H10O3/c12-10(7-4-2-1-3-5-7)8-6-9(8)11(13)14/h1-5,8-9H,6H2,(H,13,14)

1601-81-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-benzoylcyclopropane-1-carboxylic acid

1.2 Other means of identification

Product number -
Other names 1-Benzoyl-cyclopropan-2-carbonsaeure

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:1601-81-6 SDS

1601-81-6Relevant articles and documents

A General Protocol for Radical Anion [3+2] Cycloaddition Enabled by Tandem Lewis Acid Photoredox Catalysis

Amador, Adrian G.,Sherbrook, Evan M.,Lu, Zhan,Yoon, Tehshik P.

supporting information, p. 539 - 547 (2017/10/30)

A method for intermolecular [3+2] cycloaddition between aryl cyclopropyl ketones and alkenes involving the combination of Lewis acid and photoredox catalysis is reported. In contrast to other more common methods for [3+2] cycloaddition, these conditions o

Enantioselective Photocatalytic [3 + 2] Cycloadditions of Aryl Cyclopropyl Ketones

Amador, Adrian G.,Sherbrook, Evan M.,Yoon, Tehshik P.

supporting information, p. 4722 - 4725 (2016/05/10)

Control of stereochemistry in photocycloaddition reactions remains a substantial challenge; almost all successful catalytic examples to date have involved [2 + 2] photocycloadditions of enones. We report a method for the asymmetric [3 + 2] photocycloaddition of aryl cyclopropyl ketones that enables the enantiocontrolled construction of densely substituted cyclopentane structures not synthetically accessible using other catalytic methods. These results show that the dual-catalyst strategy developed in our laboratory broadens synthetic chemists' access to classes of photochemical cycloadditions that have not previously been feasible in enantioselective form.

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