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3-Chloro-4-Cyanobenzaldehyde, also known as 3-chloro-4-formylbenzonitrile, is a chemical compound with the molecular formula C8H4ClNO. It is a pale yellow crystalline solid that serves as a versatile intermediate in the synthesis of pharmaceuticals and agrochemicals. 3-Chloro-4-Cyanobenzaldehyde is a valuable building block in organic synthesis, especially for the preparation of heterocyclic compounds, and is also utilized as a reagent in the production of various other chemicals. Known for its strong odor, 3-Chloro-4-Cyanobenzaldehyde should be handled with care to avoid potential irritation to the skin, eyes, and respiratory system.

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  • 101048-77-5 Structure
  • Basic information

    1. Product Name: 3-Chloro-4-Cyanobenzaldehyde
    2. Synonyms: 3-Chloro-4-Cyanobenzaldehyde
    3. CAS NO:101048-77-5
    4. Molecular Formula: C8H4ClNO
    5. Molecular Weight: 165.57646
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 101048-77-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 320.5±27.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.32±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: 3-Chloro-4-Cyanobenzaldehyde(CAS DataBase Reference)
    10. NIST Chemistry Reference: 3-Chloro-4-Cyanobenzaldehyde(101048-77-5)
    11. EPA Substance Registry System: 3-Chloro-4-Cyanobenzaldehyde(101048-77-5)
  • 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: 101048-77-5(Hazardous Substances Data)

101048-77-5 Usage

Uses

Used in Pharmaceutical Industry:
3-Chloro-4-Cyanobenzaldehyde is used as a key intermediate in the synthesis of various pharmaceuticals. Its unique structure allows for the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical industry, 3-Chloro-4-Cyanobenzaldehyde is utilized as an intermediate for the production of agrochemicals, contributing to the development of effective pesticides and other agricultural chemicals.
Used in Organic Synthesis:
3-Chloro-4-Cyanobenzaldehyde is used as a versatile building block in organic synthesis, particularly for the preparation of heterocyclic compounds. Its reactivity and functional groups make it a valuable component in the synthesis of complex organic molecules.
Used as a Reagent in Chemical Production:
3-Chloro-4-Cyanobenzaldehyde is employed as a reagent in the production of various chemicals, facilitating the synthesis of a wide range of compounds for different applications.
Used in Research and Development:
Due to its unique properties and reactivity, 3-Chloro-4-Cyanobenzaldehyde is used in research and development for exploring new chemical reactions and discovering novel compounds with potential applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 101048-77-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,1,0,4 and 8 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 101048-77:
(8*1)+(7*0)+(6*1)+(5*0)+(4*4)+(3*8)+(2*7)+(1*7)=75
75 % 10 = 5
So 101048-77-5 is a valid CAS Registry Number.

101048-77-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-chloro-4-formylbenzonitrile

1.2 Other means of identification

Product number -
Other names 3-chloro-4-cyanobenzaldehyde

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:101048-77-5 SDS

101048-77-5Relevant articles and documents

A CLASS OF BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUNDS FOR TARGETED DEGRADATION OF ANDROGEN RECEPTORS AND USE THEREOF

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, (2022/03/07)

The present invention relates to a class of bifunctional chimeric heterocyclic compounds for targeted degradation of androgen receptors and use thereof, and specifically provides a compound of formula (I), or an isotopic compound thereof, or an optical isomer thereof, or a tautomer thereof, or a pharmacologically acceptable salt thereof, or a prodrug thereof, or a solvate thereof, wherein ARB is an androgen receptor recognition/binding part, L is a link part, and U is a ubiquitin protease recognition/binding part; and the three parts are connected by means of chemical bonds. The compound can perform the targeted degradation on androgen receptors in prostate cancer cells, and suppress the proliferation of the prostate cancer cells, and also show good metabolic stability and pharmacokinetic properties. The compound has good application prospect in the preparation of targeted chimeras for protein degradation of androgen receptors and in the preparation of drugs for treating the related diseases regulated by the androgen receptors.

Identification and Structure–Activity Relationship (SAR) of potent and selective oxadiazole-based agonists of sphingosine-1-phosphate receptor (S1P1)

Liu, Tianqi,Jin, Jing,Chen, Yonghui,Xi, Qiumu,Hu, Jinping,Jia, Wenqiang,Chen, Xiaoguang,Li, Yan,Wang, Xiaojian,Yin, Dali

, p. 41 - 57 (2018/10/02)

Agonism of S1P1 receptor has been proven to be responsible for peripheral blood lymphopenia and elicts the identification of various S1P1 modulators. In this paper we described a series of oxadiazole-based S1P1 direct-acting agonists disubstituted on terminal benzene ring, with high potency for S1P1 receptor and favorable selectivity against S1P3 receptor. In addition, two representative agents named 16-3b and 16-3g demonstrated impressive efficacy in lymphocyte reduction along with reduced effect on heart rate when orally administered. Furthermore, these compounds have been shown to possess desired pharmacokinetic (PK) and physicochemical profiles. The binding mode between 16-3b and the activated S1P1 model was also studied.

Carboxylic acid compound containing diphenyl oxadiazole, and preparation method and medical application of compound

-

Paragraph 0032-0038, (2019/07/16)

The invention relates to the field of medicinal chemistry, and particularly relates to a carboxylic acid compound (I) containing a diphenyl oxadiazole skeleton, a preparation method and pharmaceuticalpreparation of the compound, and a use of the compound

Sphingosine-1-phosphate receptor modulator and application thereof

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Paragraph 0077-0079, (2018/04/21)

The invention relates to a sphingosine-1-phosphate receptor modulator compound and a preparation method and application thereof. A compound, racemate, stereisomer, tautomer, solvent compound, hydrateor pharmaceutically acceptable salts shown in a formula (I) are specifically provided. (The formula (I) is shown in the attached figure.).

THIAZOLE DERIVATIVES FOR THE TREATMENT OF ANIMAL TRYPANOSOMIASIS

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Page/Page column 67; 72, (2016/10/04)

The present invention relates to a novel class of compounds of general formula (I) wherein R1, R2, R3, R4, R5, R6, R7, X and Y are as defined herein, to their use in human and veterinary medicine, and in the treatment of animal trypanosomiasis in particular, to compositions containing them, to processes for their preparation and to intermediates used in such processes.

NEW IMIDAZOLYLKETONE DERIVATIVES

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Paragraph 0032; 0333, (2014/05/20)

The invention provides novel compounds having the general formula (I) wherein R1, R2, R3 and R4 n are as described herein, compositions including the compounds and methods of using the compounds.

IMIDAZOLYLKETONE DERIVATIVES ASD ALDOSTERONE SYNTHASE INHIBITORS

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Page/Page column 50-51, (2013/08/28)

The invention provides novel compounds having the general formula (I), wherein R1, R2, R3 and R4 n are as described herein, compositions including the compounds and methods of using the compounds as inhibitors of aldosterone synthase.

Substituted phenyl farnesyltransferase inhibitors

-

, (2012/09/25)

Compounds of formula (I) or pharmaceutically acceptable salts thereof, inhibit farnesyltransferase. Methods for making the compounds, pharmaceutical compositions containing the compounds, and methods of treatment using the compounds are disclosed.

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