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3-Chloro-4-ethoxybenzonitrile is a chloro-substituted benzonitrile derivative with the molecular formula C9H8ClNO. It is a chemical compound commonly used as an intermediate in the synthesis of various organic compounds.

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  • 916596-02-6 Structure
  • Basic information

    1. Product Name: 3-Chloro-4-ethoxybenzonitrile
    2. Synonyms: 3-Chloro-4-ethoxybenzonitrile
    3. CAS NO:916596-02-6
    4. Molecular Formula: C9H8ClNO
    5. Molecular Weight: 181.61892
    6. EINECS: -0
    7. Product Categories: N/A
    8. Mol File: 916596-02-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 3-Chloro-4-ethoxybenzonitrile(CAS DataBase Reference)
    10. NIST Chemistry Reference: 3-Chloro-4-ethoxybenzonitrile(916596-02-6)
    11. EPA Substance Registry System: 3-Chloro-4-ethoxybenzonitrile(916596-02-6)
  • 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: 916596-02-6(Hazardous Substances Data)

916596-02-6 Usage

Uses

Used in Pharmaceutical Industry:
3-Chloro-4-ethoxybenzonitrile is used as a building block for the production of pharmaceuticals. Its presence of both the chloro and ethoxy groups makes it a versatile starting material for the synthesis of a wide range of compounds.
Used in Agrochemical Industry:
3-Chloro-4-ethoxybenzonitrile is used as an intermediate in the synthesis of agrochemicals. Its unique structure allows for the development of new and effective agrochemical products.
Used in Specialty Chemicals Industry:
3-Chloro-4-ethoxybenzonitrile is used as a building block in the production of specialty chemicals. Its versatility and reactivity make it a valuable component in the synthesis of various specialty chemicals.
It is important to handle 3-Chloro-4-ethoxybenzonitrile with care, as it may be harmful if ingested, inhaled, or comes into contact with the skin.

Check Digit Verification of cas no

The CAS Registry Mumber 916596-02-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,1,6,5,9 and 6 respectively; the second part has 2 digits, 0 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 916596-02:
(8*9)+(7*1)+(6*6)+(5*5)+(4*9)+(3*6)+(2*0)+(1*2)=196
196 % 10 = 6
So 916596-02-6 is a valid CAS Registry Number.
InChI:InChI=1S/C9H8ClNO/c1-2-12-9-4-3-7(6-11)5-8(9)10/h3-5H,2H2,1H3

916596-02-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Chloro-4-ethoxybenzonitrile

1.2 Other means of identification

Product number -
Other names 3-Chloro-4-ethoxy-benzonitrile

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:916596-02-6 SDS

916596-02-6Downstream Products

916596-02-6Relevant articles and documents

COMPOUNDS AND USES THEREOF

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Page/Page column 182, (2018/05/17)

The present invention features compounds useful in the treatment of neurological disorders. The compounds of the invention, alone or in combination with other pharmaceutically active agents, can be used for treating or preventing neurological disorders.

Room temperature C(sp2)-H oxidative chlorination: Via photoredox catalysis

Zhang, Lei,Hu, Xile

, p. 7009 - 7013 (2017/10/05)

Photoredox catalysis has been developed to achieve oxidative C-H chlorination of aromatic compounds using NaCl as the chlorine source and Na2S2O8 as the oxidant. The reactions occur at room temperature and exhibit exclusive selectivity for C(sp2)-H bonds over C(sp3)-H bonds. The method has been used for the chlorination of a diverse set of substrates, including the expedited synthesis of key intermediates to bioactive compounds and a drug.

Ruthenium-catalyzed intramolecular selective halogenation of O-methylbenzohydroximoyl halides: A new route to halogenated aromatic nitriles

Chinnagolla, Ravi Kiran,Pimparkar, Sandeep,Jeganmohan, Masilamani

supporting information, p. 3146 - 3148 (2013/06/04)

The intramolecular halogenation of O-methylbenzohydroximoyl halides in the presence of a Ru catalyst and the ligand diphenylacetylene afforded halo substituted aromatic nitriles in a highly regioselective manner. Further, substituted nitriles were converted into substituted tetrazole derivatives in the presence of NaN3 and I2.

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