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3-amino-5-(trifluoromethyl)benzonitrile, a member of the benzonitrile family, is a chemical compound with the molecular formula C8H5F3N2. It is characterized by the presence of a trifluoromethyl group, which endows it with unique properties for synthetic and pharmaceutical applications. This white to light yellow solid is insoluble in water but soluble in organic solvents, and is recognized as a versatile building block in the synthesis of various pharmaceutical and agrochemical compounds. Additionally, it serves as a reagent in organic synthesis, particularly in nucleophilic aromatic substitution reactions. Due to its potential hazards upon ingestion, inhalation, or skin contact, careful handling is advised.

49674-28-4

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49674-28-4 Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
3-amino-5-(trifluoromethyl)benzonitrile is utilized as a key intermediate in the synthesis of pharmaceutical and agrochemical compounds, leveraging its unique structural features to enhance the properties of the final products.
Used in Organic Synthesis:
In the realm of organic synthesis, 3-amino-5-(trifluoromethyl)benzonitrile is employed as a reagent, particularly for nucleophilic aromatic substitution reactions, where its trifluoromethyl group contributes to the formation of desired products with improved characteristics.
Used in Research and Development:
3-amino-5-(trifluoromethyl)benzonitrile is also used in research and development settings to explore new synthetic pathways and to understand the effects of trifluoromethylation on the reactivity and selectivity of various chemical reactions.

Check Digit Verification of cas no

The CAS Registry Mumber 49674-28-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,9,6,7 and 4 respectively; the second part has 2 digits, 2 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 49674-28:
(7*4)+(6*9)+(5*6)+(4*7)+(3*4)+(2*2)+(1*8)=164
164 % 10 = 4
So 49674-28-4 is a valid CAS Registry Number.

49674-28-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-amino-5-(trifluoromethyl)benzonitrile

1.2 Other means of identification

Product number -
Other names 3-amino-5-trifluoromethyl-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:49674-28-4 SDS

49674-28-4Relevant academic research and scientific papers

INHIBITORS OF NECROPTOSIS

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Page/Page column 119-120, (2016/09/22)

The invention relates to novel heterocyclic compounds of Formula (I) which inhibit necroptosis and methods for their use. The compounds may be useful in the treatment of conditions associated with deregulated necroptosis.

TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS

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Page/Page column 58-59, (2012/02/01)

The present invention relates to novel tetrazole compounds; to processes for their preparation; to pharmaceutical compositions containing the compounds; and to the use of the compounds in therapy to treat diseases for which blocking the Cav2.2 calcium channels is beneficial. Formula (I) wherein A is: (II) or (III)

Pyridyloxyindoles Inhibitors of VEGF-R2 and Use Thereof for Treatment of Disease

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Page/Page column 64, (2010/06/22)

The invention relates to novel organic compounds of formula (I), and their use in the treatment of the animal or human body, to pharmaceutical compositions comprising a compound of formula I and to the use of a compound of formula I for the preparation of pharmaceutical compositions for use in the treatment of protein kinase dependent diseases, especially of proliferative diseases, such as in the treatment of tumour diseases and ocular neovascular diseases.

GAMMA-AMINOAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY

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Page/Page column 173-174, (2010/02/07)

The present invention is directed to compounds of the formula (I), wherein R1, R2, R3, R4, R5, R6, R7, R8, R11, R12, W, X, and n are defined herein, which are useful as modulators of chemokine receptor activity. In particular, these compounds are useful as modulators of the chemokine receptor CCR-2.

Glucagon antagonists/inverse agonists

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, (2008/06/13)

Disclosed is a novel class of compounds of formula (I) wherein V, A, Y, Z, R1, E, X and D are as defined in the specification. These compounds act to antagonize the action of the glucagon hormone on the glucagon receptor. Owing to their antagonizing effect of the glucagon receptor, the compounds are suitable for treating or preventing glucagon-mediated conditions and diseases such as hyperglycemia, Type 1 diabetes, Type 2 diabetes and obesity.

Process for producing trifluoromethylbenzylamines

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, (2008/06/13)

The invention relates to a process for producing a trifluotomethylbenzylamine represented by the following general formula (1), 1where each R independently represents a halogen selected from the group consisting of fluorine, chlorine, bromine and iodine, an alkyl group having a carbon atom number of 1-4, an alkoxy group having a carbon atom number of 1-4, an amino group, a hydroxyl group or a trifluoromethyl group, and n represents an integer from 0 to 4. The process includes hydrogenating a trifluoromethylbenzonitrile by hydrogen in an organic solvent in the presence of ammonia and a catalyst containing a platinum group element. This trifluoromethylbenzonitrile is represented by the following general formula (2), 2where R and n are defined as above. With this process, it is possible to obtain the trifluoromethylbenzylamine at an extremely high yield.

Process for producing trifluoromethylbenzylamines

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, (2008/06/13)

The invention relates to a process for producing a trifluoromethylbenzylamine represented by the following general formula (1). This process includes hydrogenating a trifliuoromethylbenzonitrile represented by the following general formula (2) by hydrogen in an organic solvent in the presence of ammonia, using a Raney catalyst, where each R independently represents a halogen selected from the group consisting of fluorine, chlorine, bromine and iodine, an alkyl group having a carbon atom number of 1-4, an alkoxy group having a carbon atom number of 1-4, an amino group, a hydroxyl group or a trifluoromethyl group, and n represents an integer from 0 to 4, where R and n are defined as above. With this process, it is possible to obtain the trifluoromethylbenzylamine easily and inexpensively at an extremely high yield.

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