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2-Fluorocyclopropanecarboxylic acid is a fluorinated carboxylic acid with the molecular formula C4H5FO2, featuring a cyclopropane ring in its structure. This unique compound is known for its reactivity and structural properties, making it a valuable component in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds.

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  • 156816-78-3 Structure
  • Basic information

    1. Product Name: 2-Fluorocyclopropanecarboxylic acid
    2. Synonyms: 2-Fluorocyclopropanecarboxylic acid;2-fluorocyclopropane-1-carboxylic acid;2-Fluorocyclopropanecarboxylic acid, 95%, cis
    3. CAS NO:156816-78-3
    4. Molecular Formula: C4H5FO2
    5. Molecular Weight: 104.0797032
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 156816-78-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 202.3±33.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.35±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: 4.00±0.11(Predicted)
    10. CAS DataBase Reference: 2-Fluorocyclopropanecarboxylic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-Fluorocyclopropanecarboxylic acid(156816-78-3)
    12. EPA Substance Registry System: 2-Fluorocyclopropanecarboxylic acid(156816-78-3)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: 36/37/38
    3. Safety Statements: 26-36/37/39
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 156816-78-3(Hazardous Substances Data)

156816-78-3 Usage

Uses

Used in Pharmaceutical Synthesis:
2-Fluorocyclopropanecarboxylic acid is used as a key intermediate in the development of pharmaceuticals for its ability to modify the properties of other organic compounds, enhancing their therapeutic effects and selectivity.
Used in Agrochemical Production:
In the agrochemical industry, 2-Fluorocyclopropanecarboxylic acid serves as a building block for the synthesis of various agrochemicals, contributing to the development of more effective and targeted pest control agents.
Used in Organic Chemistry Research:
As an important intermediate, 2-Fluorocyclopropanecarboxylic acid is utilized in organic chemistry research to explore new reactions and pathways, expanding the scope of chemical synthesis and understanding of molecular structures.
Used in Chemical Substance Production:
2-Fluorocyclopropanecarboxylic acid is employed in the production of a variety of chemical substances, highlighting its versatility and significance in the field of organic chemistry and drug development.

Check Digit Verification of cas no

The CAS Registry Mumber 156816-78-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,5,6,8,1 and 6 respectively; the second part has 2 digits, 7 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 156816-78:
(8*1)+(7*5)+(6*6)+(5*8)+(4*1)+(3*6)+(2*7)+(1*8)=163
163 % 10 = 3
So 156816-78-3 is a valid CAS Registry Number.

156816-78-3SDS

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 2-fluorocyclopropane-carboxylic acid

1.2 Other means of identification

Product number -
Other names 2-fluorocyclopropanecarboxylic acid

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:156816-78-3 SDS

156816-78-3Relevant articles and documents

Racemic recovery method of by-product in resolution mother liquor of intermediate of sitafloxacin

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Paragraph 0040; 0041, (2019/01/07)

The invention discloses a racemic recovery method of the by-product in a resolution mother liquor of an intermediate of sitafloxacin. The method specifically comprises following steps: (1) carrying out resolution on a raceme 2-fluorocyclopropanecarboxylic

Novel 2-fluorocyclopropane carboxylic acid synthesis method

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Paragraph 0079; 0080, (2017/08/27)

The invention discloses a novel 2-fluorocyclopropane carboxylic acid synthesis method. The novel 2-fluorocyclopropane carboxylic acid synthesis method comprises the following steps: 1) enabling 1,1-dichloro-1-fluoroethane and thiophenol to react under the action of alkali to produce a phenyl sulfide intermediate; 2) implementing an oxidizing reaction between the phenyl sulfide intermediate and Oxone; 3) implementing an elimination reaction on an obtained product under the action of alkali to obtain 1-fluorine-1-phenylsulfonyl ethane; 4) implementing an addition reaction on the 1-fluorine-1-phenylsulfonyl ethane and ethyl diazoacetate under the action of a catalyst to obtain a cyclopropane intermediate; 5) implementing an elimination reaction on the cyclopropane intermediate under the action of alkali, and then acidifying to obtain 2-fluorocyclopropane carboxylic acid. The synthetic route is short, the materials are bulk commodities, cheap and easy to get, the Oxone replaces a commonly used mCPBA agent, the process is safely amplified, the reaction yield is increased, the production cost is greatly lowered, and the operation is simple.

Process for producing cyclopropanecarboxylates

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, (2008/06/13)

There is disclosed a process process for producing a cyclopropanecarboxylate of formula (1): 1which process comprises reacting cyclopropanecarboxylic acid of formula (2): 2with a monohydroxy compound of formula (3): R6OH??(3),in the presence of a catalyst compound comprising an element of to Group 4 of the Periodic Table of Elements.

Process for producing 2-fluorocyclopropancecarboxlic acid

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, (2008/06/13)

A process for producing a 2-fluorocyclopropane-carboxylic acid of formula ?I! STR1 by reducing a 2-halo-2-fluorocyclopropanecarboxylic acid of formula ?II! STR2 the reduction being carried out by developing a Raney nickel alloy in the presence of the 2-halo-2-fluorocyclo-propanecarboxylic acid of formula ?II!, or by contacting the 2-halo-2-fluorocyclopropanecarboxylic acid of formula ?II! with hydrogen in an aqueous solvent using a Raney nickel catalyst.

Selective dehalogenation process

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, (2008/06/13)

A compound represented by the following formula (1) or (3): STR1 is subjected to a catalytic hydrogenolysis reaction in the presence of a base and thus a compound represented by the following formula (2): STR2 wherein R represents a hydrogen atom or an al

Bicyclic amine derivatives

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, (2008/06/13)

A compound represented by formula (I) or a salt thereof: STR1 wherein X1 and X2 each represent a halogen atom; R1 represents a hydrogen atom or a substituent; R2 represents a substituted or unsubstituted bicyclic heterocyclic substituent of the following formula; STR2 wherein R3, R4, Y, Z, m, n, p, q and r are as defined herein; A represents a nitrogen atom or a substituted carbon atom; and R represents a hydrogen atom or a substituent. The compound exhibits potent antimicrobial activity and also high safety due to reduced lipophilicity.

Pyridonecarboxylic acid derivatives

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, (2008/06/13)

Quinolone derivatives are known as synthetic antimicrobial agents having a condensed pyridonecarboxylic acid skeleton, and those having substituents on various replaceable positions of said skeleton are known. In particular, if diastereomers exist, there are 4 or more kinds of stereoisomers. A mixture of diastereomers is a mixture of isomers having different physical properties and is difficult to apply as a drug as such. The present invention provides an antimicrobial 1-(1,2-cis-2-fluorocyclopropyl)-substituted quinolone derivative represented by formula I shown below which, although involving diastereomers, consists of a single stereoisomer. STR1 wherein R1 represents a methyl group, a difluoromethyl group, etc.; R2 represents a saturated nitrogen-containing heterocyclic group; A represents C--X3 or a nitrogen atom; X1 and X2 each represents a halogen atom; and X3 and Z represent a hydrogen atom, etc.

Optically active pyridonecarboxylic acid derivatives

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, (2008/06/13)

N1 -(1,2-cis-2-halogenocyclopropyl)-substituted pyridonecarboxylic acid derivatives represented by the following formula (I) the terms of which are defined in the specification and the salts thereof are disclosed: STR1 These compounds have pate

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