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3-Chlorobutyric acid, also known as β-chlorobutyric acid, is a chemical compound with the molecular formula C4H7ClO2. It is a colorless liquid with a pungent odor and is used in various applications, including organic synthesis and as an intermediate in the production of pharmaceuticals and agrochemicals. It is also a precursor to the production of γ-butyrolactone, which serves multiple purposes such as a solvent, an intermediate in the production of polymers, and a precursor to various chemicals. Due to its corrosive properties and potential health hazards, 3-chlorobutyric acid is classified as a hazardous chemical and should be handled with care.

1951-12-8

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1951-12-8 Usage

Uses

Used in Organic Synthesis:
3-Chlorobutyric acid is used as a building block in the synthesis of various organic compounds. Its reactivity and functional groups make it a valuable intermediate in the preparation of a wide range of chemical products.
Used in Pharmaceutical Production:
3-Chlorobutyric acid is used as an intermediate in the production of pharmaceuticals. Its chemical properties allow it to be incorporated into the structures of various drugs, contributing to their therapeutic effects.
Used in Agrochemical Production:
3-Chlorobutyric acid is used as an intermediate in the production of agrochemicals, such as pesticides and herbicides. Its chemical structure plays a role in the development of these products, which are designed to protect crops and control pests.
Used in the Production of γ-Butyrolactone:
3-Chlorobutyric acid is used as a precursor in the production of γ-butyrolactone, which is a versatile compound with applications in various industries. It serves as a solvent, an intermediate in the production of polymers, and a precursor to other chemicals, making it an important component in the chemical manufacturing process.

Check Digit Verification of cas no

The CAS Registry Mumber 1951-12-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,9,5 and 1 respectively; the second part has 2 digits, 1 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 1951-12:
(6*1)+(5*9)+(4*5)+(3*1)+(2*1)+(1*2)=78
78 % 10 = 8
So 1951-12-8 is a valid CAS Registry Number.
InChI:InChI=1/C4H7ClO2/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H,6,7)/t3-/m0/s1

1951-12-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-chlorobutanoic acid

1.2 Other means of identification

Product number -
Other names Butanoic acid,3-chloro

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:1951-12-8 SDS

1951-12-8Relevant academic research and scientific papers

HYDROCHLORINATION OF ELECTRON-DEFICIENT ALKENES

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Page/Page column 5, (2012/07/31)

The present invention pertains to a method for the hydrochlorination of electron deficient alkenes, particularly alkenes having the functional groups COOH, CONH2, and CN. Specific alkenes discussed include acrylic acid, crotonic acid, methacrylic acid, acrylonitrile, acrylamide, and methacrylonitrile. The alkene is combined with a primary or secondary alcohol (e.g., isopropanol) and an acid chloride (e.g., acetyl chloride) under conditions suitable to chlorinate the alkene. Products formed by the invention include 3-chorosubstituted carbonyl compounds such as 3-chlorpropionic acid (3-CPA), 3-chloropropionamide (3-CPAD), and 3-chloropropionitrile among other products.

Activation of the silicon-halogen bond by bismuth (III) halides. Halogenation of alcohols: prospective and mechanism

Labrouillere, Mireille,Roux, Christophe Le,Oussaid, Abdelouahad,Gaspard-Iloughmane, Hafida,Dubac, Jacques

, p. 522 - 530 (2007/10/02)

In the presence of catalytic amount of BiCl3, chloromethylsylanes can be used as chlorinating agents for alcohols, and as chloro-dealkylating agents for silyl ethers and carboxylic and sulfonic esters.The chlorination of (R)-(-)-octan-2-ol and the (R)-(-)-2-mesyloctane by TMSCl gave predominantly the (S)-(+)-2-chlorooctane with inversion of configuration at secondary carbon.According to the class of alcohol, the mechanism involves SN2, SN2' or SN1 processes.This new activation of the Si-Cl bond, probably trough a Si-Cl...BiCl3 interaction gives a hard-soft reagent that can generate a silicenium cation, was also observed with Me3SiBr, BiBr3 and Me3SiI, BiI3 systems.The reaction is also presented as a possible alcoholysis of chlorosilanes, which can lead to siloxanes in non-aqueous conditions. catalysis / halogenation / alcohol / ester / silyl ether / chlorosilane / chlorotrimethylsilane / bromotrimethylsilane / iodotrimethylsilane / siloxane / bismuth (III) halide

AN IMPROVED SYNTHESIS OF HEXAMETHYLPHENALENE

Boudjouk, Philip,Ohrbom, Walter H.,Woell, James B.

, p. 401 - 410 (2007/10/02)

The synthesis of 1,3,4,6,7,9-hexamethylphenalene (2) has been improved from 15 steps to a four step procedure.The overall yield has been increased from an estimated 5percent to 45percent.Key steps in the synthesis are the reaction of 3,5-dimethylbenzylmagnesium chloride with 2,4-pentanedioato lithium in THF to make 5-(3,5-dimethylphenyl)-4-methyl-4-hydroxy-2-pentanone (5) and the Lewis acid acylation-alkation of 1,3,6,8-tetramethylnaphthalene using 3-chlorobutanoic chloride in hexane with sonicaton to make 1,3,4,6,7,9-hexamethyl-phenalane (2).

HYDROCHLORINATION OF VINYL AND ALLYL ACRYLATES AND TRANS-CROTONATES

Komarova, L. I.,Zhuravleva, E. I.

, p. 455 - 457 (2007/10/02)

Different orders of addition were established for the addition of hydrogen chloride to vinyl and allyl acrylates and trans-crotonates.The hydrochlorination of vinyl and allyl acrylates takes place regioselectively at the double bond of the acrylic system.The hydrochlorination of vinyl and allyl trans-crotonates takes place at the double bond of the alkenoxy group.Vinyl β-chloropropionate and β-chlorobutyrate were also obtained by transvinylation of the acids with vinyl acetate.The ability of the obtained chloroesters to undergo certain chemical transformations was demonstrated.

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