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3-Amino-4-cyanobenzoic acid is a chemical compound with the molecular formula C8H7N3O2. It is an amino acid derivative that contains an amino group, a cyano group, and a carboxylic acid group. This versatile molecule is widely used in various fields due to its unique structure and functional groups.

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  • 159847-71-9 Structure
  • Basic information

    1. Product Name: 3-Amino-4-cyanobenzoic acid
    2. Synonyms: 3-Amino-4-cyanobenzoic acid;4-Cyano-3-aminobenzoic acid
    3. CAS NO:159847-71-9
    4. Molecular Formula: C8H6N2O2
    5. Molecular Weight: 162.14544
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 159847-71-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 433.9±40.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.41±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. PKA: 3.70±0.10(Predicted)
    10. CAS DataBase Reference: 3-Amino-4-cyanobenzoic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-Amino-4-cyanobenzoic acid(159847-71-9)
    12. EPA Substance Registry System: 3-Amino-4-cyanobenzoic acid(159847-71-9)
  • 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: 159847-71-9(Hazardous Substances Data)

159847-71-9 Usage

Uses

Used in Organic Synthesis:
3-Amino-4-cyanobenzoic acid is used as a building block in organic synthesis for the production of various pharmaceuticals and organic compounds. Its presence of different functional groups allows for a wide range of chemical reactions, making it a valuable component in the synthesis of complex organic molecules.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 3-Amino-4-cyanobenzoic acid is used as a precursor for the synthesis of dyes and pigments. Its unique structure and functional groups make it a promising candidate for the development of novel biologically active molecules and drug discovery.
Used in Drug Discovery:
3-Amino-4-cyanobenzoic acid has potential applications in the development of novel biologically active molecules and drug discovery. Its presence of different functional groups allows for the design and synthesis of new compounds with potential therapeutic effects.

Check Digit Verification of cas no

The CAS Registry Mumber 159847-71-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,5,9,8,4 and 7 respectively; the second part has 2 digits, 7 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 159847-71:
(8*1)+(7*5)+(6*9)+(5*8)+(4*4)+(3*7)+(2*7)+(1*1)=189
189 % 10 = 9
So 159847-71-9 is a valid CAS Registry Number.

159847-71-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-amino-4-cyanobenzoic acid

1.2 Other means of identification

Product number -
Other names 3-Amino-4-cyano-benzoic 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:159847-71-9 SDS

159847-71-9Relevant articles and documents

NOVEL PROCESSES AND COMPOUNDS

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Page/Page column 26-27, (2009/04/25)

The invention relates to methods of using certain compounds of formula (I), (II) and (III) in the synthesis of an insecticide intermediate of formula (IV), wherein the substituents are as defined in claim 1, to processes for preparing these compounds, to

PIPERIDINE DERIVATIVES FOR THE TREATMENT OF OBESITY

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Page/Page column 218, (2008/12/06)

A compound of formula (I) or a pharmaceutically acceptable salt thereof, processes for preparing such compounds, their use as Fatty Acid Synthase inhibitors, methods for their therapeutic use, particularly in the treatment of obesity, diabetes mellitus, c

SULFONAMIDE DERIVATIVES FOR THERAPEUTIC USE AS FATTY ACID SYNTHASE INHIBITORS

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Page/Page column 148-149, (2008/12/06)

A compound of formula (I) or a pharmaceutically acceptable salt thereof, processes for preparing such compounds, their use as Fatty Acid Synthase inhibitors, methods for their therapeutic use, particularly in the treatment of obesity and diabetes mellitus

Regioselective Hydrolysis of Aromatic Dinitriles Using a Whole Cell Catalyst

Crosby, John,Moilliet, Jock,Parratt, Julian S.,Turner, Nicolas J.

, p. 1679 - 1688 (2007/10/02)

A series of aromatic dinitriles have been examined as substrates for an immobilised whole cell Rhodococcus sp. that catalyses the hydrolysis of nitriles to amides and/or carboxylic acids.The fluorinated aromatic dinitriles 48 and 49 were regioselectively hydrolysed to the corresponding cyano amides 48a and 49a whereas the non-fluorinated analogues 41-44 were converted to cyano acids but with poorer regioselectivity.

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