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2-(3-chlorobenzoyl)pyrrole is an organic compound with the molecular formula C12H8ClNO and a molecular weight of 221.65 g/mol. It is a derivative of pyrrole, a heterocyclic aromatic organic compound consisting of a five-membered ring with four carbon atoms and one nitrogen atom. The 2-position of the pyrrole ring is substituted with a 3-chlorobenzoyl group, which is a benzoyl group (a benzene ring with a carbonyl group) attached to a chlorine atom at the 3rd position. 2-(3-CHLOROBENZOYL)PYRROLE is primarily used as an intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other organic compounds. Due to its reactivity and unique structure, it is a valuable building block in organic synthesis, allowing for the creation of a wide range of complex molecules with potential applications in various industries.

7697-48-5

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7697-48-5 Usage

Chemical class

Pyrrole derivatives

Molecular weight

215.65 g/mol

Physical appearance

Yellow to brown solid

Solubility

Soluble in organic solvents such as dichloromethane and chloroform

Uses

Building block for the synthesis of more complex molecules, used in organic synthesis and pharmaceutical research, important intermediate in the preparation of various biologically active compounds, and used as a reagent in the production of specialty chemicals.

Chlorine substitution

Gives unique reactivity and properties.

Check Digit Verification of cas no

The CAS Registry Mumber 7697-48-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,6,9 and 7 respectively; the second part has 2 digits, 4 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 7697-48:
(6*7)+(5*6)+(4*9)+(3*7)+(2*4)+(1*8)=145
145 % 10 = 5
So 7697-48-5 is a valid CAS Registry Number.
InChI:InChI=1/C11H8ClNO/c12-9-4-1-3-8(7-9)11(14)10-5-2-6-13-10/h1-7,13H

7697-48-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name (3-chlorophenyl)-(1H-pyrrol-2-yl)methanone

1.2 Other means of identification

Product number -
Other names -

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:7697-48-5 SDS

7697-48-5Relevant academic research and scientific papers

Synthesis of a new compound family, 1-aryl-3H-pyrrolo[2,1-d][1,2,5] triazepin-4(5H)-ones

Milen, Mátyás,ábrányi-Balogh, Péter,Dancsó, András,Simig, Gyula,Volk, Balázs

, p. 465 - 476 (2014/01/06)

Representatives of a new family, 1-aryl-3H-pyrrolo[2,1-d][1,2,5]triazepin- 4(5H)-ones have been synthesized at our laboratory as bioisosters of biologically active 1-aryl-2,3-benzodiazepine-4-ones. The efficient synthetic route described applies the synth

Infrared and Nuclear Magnetic Resonance Properties of Benzoyl Derivatives of Five-membered Monoheterocycles and Determination of Aromaticity Indices

Jeon, Kyu Ok,Jun, Jung Ho,Yu, Ji Sook,Lee, Chang Kiu

, p. 763 - 771 (2007/10/03)

Benzophenones, 2-benzoylthiophenes, 2-benzoylpyrroles, and 2-benzoylfurans, which have substituents at m- and p-positions of the benzoyl ring were prepared and their ir and nmr spectra were obtained in 0.1 M chloroform-d solution. The chemical shift values of each series were plotted against the Hammett substituent parameters to give good correlation, with the exception of the ortho-Hs and -Cs. The slopes as well as the differences in chemical shift gave sets of meaningful values for the indices of aromaticy.

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