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4-Nitro-3-(trifluoromethyl)benzaldehyde is a chemical compound characterized by the molecular formula C8H5F3NO3. It is a yellow crystalline solid that exhibits a strong odor and high reactivity. As a nitroaromatic aldehyde, this compound is recognized for its unique structure and chemical properties, making it a valuable intermediate in the synthesis of pharmaceuticals, dyes, and other organic compounds. Its potential applications extend to the fields of organic chemistry and material science, where it serves as a building block for the creation of various bioactive compounds.

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  • 101066-57-3 Structure
  • Basic information

    1. Product Name: 4-Nitro-3-(trifluoromethyl)benzaldehyde
    2. Synonyms: 4-Nitro-3-(trifluoromethyl)benzaldehyde
    3. CAS NO:101066-57-3
    4. Molecular Formula: C8H4F3NO3
    5. Molecular Weight: 219.1174696
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 101066-57-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 291.9±40.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.496±0.06 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: 4-Nitro-3-(trifluoromethyl)benzaldehyde(CAS DataBase Reference)
    10. NIST Chemistry Reference: 4-Nitro-3-(trifluoromethyl)benzaldehyde(101066-57-3)
    11. EPA Substance Registry System: 4-Nitro-3-(trifluoromethyl)benzaldehyde(101066-57-3)
  • 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: 101066-57-3(Hazardous Substances Data)

101066-57-3 Usage

Uses

Used in Pharmaceutical Industry:
4-Nitro-3-(trifluoromethyl)benzaldehyde is used as a key intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of new drugs with enhanced properties. Its unique structure allows for the creation of compounds with specific therapeutic effects.
Used in Dye Industry:
In the dye industry, 4-Nitro-3-(trifluoromethyl)benzaldehyde is utilized as a precursor in the production of dyes, where its chemical properties contribute to the color and stability of the final products.
Used in Organic Chemistry Research:
4-Nitro-3-(trifluoromethyl)benzaldehyde is employed as a building block in organic chemistry for the synthesis of various bioactive compounds. Its reactivity and structural features make it suitable for exploring new chemical reactions and the development of novel organic molecules.
Used in Material Science:
In the field of material science, 4-Nitro-3-(trifluoromethyl)benzaldehyde is used for its potential applications in creating new materials with specific properties. Its unique chemical structure allows for the engineering of materials with tailored characteristics for various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 101066-57-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,1,0,6 and 6 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 101066-57:
(8*1)+(7*0)+(6*1)+(5*0)+(4*6)+(3*6)+(2*5)+(1*7)=73
73 % 10 = 3
So 101066-57-3 is a valid CAS Registry Number.

101066-57-3SDS

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 4-Nitro-3-(trifluoromethyl)benzaldehyde

1.2 Other means of identification

Product number -
Other names 3-trifluoromethyl-4-nitrobenzaldehyde

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:101066-57-3 SDS

101066-57-3Relevant articles and documents

Vicarious Nucleophilic Chloromethylation of Nitroaromatics

Khutorianskyi, Viktor V.,Klepetá?ová, Blanka,Beier

supporting information, p. 5443 - 5446 (2019/07/03)

Nitroaromatics substituted with electron-acceptor or electron-donor groups undergo vicarious nucleophilic substitution with the lithium salt of dichloromethane to provide chloromethyl-substituted nitroaromatics in good to high yields. The methodology represents a new strategy for the synthesis of benzyl chlorides.

Increased Potency and Selectivity for Group III Metabotropic Glutamate Receptor Agonists Binding at Dual sites

Selvam, Chelliah,Lemasson, Isabelle A.,Brabet, Isabelle,Oueslati, Nadia,Karaman, Berin,Cabaye, Alexandre,Tora, Amélie S.,Commare, Bruno,Courtiol, Tiphanie,Cesarini, Sara,McCort-Tranchepain, Isabelle,Rigault, Delphine,Mony, Laetitia,Bessiron, Thomas,McLean, Heather,Leroux, Frédéric R.,Colobert, Fran?oise,Daniel, Hervé,Goupil-Lamy, Anne,Bertrand, Hugues-Olivier,Goudet, Cyril,Pin, Jean-Philippe,Acher, Francine C.

supporting information, p. 1969 - 1989 (2018/03/21)

A group III metabotropic glutamate (mGlu) receptor agonist (PCEP) was identified by virtual HTS. This orthosteric ligand is composed by an l-AP4-derived fragment that mimics glutamate and a chain that binds into a neighboring pocket, offering possibilities to improve affinity and selectivity. Herein we describe a series of derivatives where the distal chain is replaced by an aromatic or heteroaromatic group. Potent agonists were identified, including some with a mGlu4 subtype preference, e.g., 17m (LSP1-2111) and 16g (LSP4-2022). Molecular modeling suggests that aromatic functional groups may bind at either one of the two chloride regulatory sites. These agonists may thus be considered as particular bitopic/dualsteric ligands. 17m was shown to reduce GABAergic synaptic transmission at striatopallidal synapses. We now demonstrate its inhibitory effect at glutamatergic parallel fiber-Purkinje cell synapses in the cerebellar cortex. Although these ligands have physicochemical properties that are markedly different from typical CNS drugs, they hold significant therapeutic potential.

Hypophosphorous Acid Derivatives and their Therapeutical Applications

-

Page/Page column 28-29, (2009/07/17)

Hypophosphorous acid derivatives having Formula (I) wherein .M is a [C(R3,R4)]n1-C(E,COOR1,N(H,Z)) group, or an optionally substituted Ar—CH(COOR1,N(H,Z)) group, or an a, β, or a β, g-cyclic amino acid; .R1 is H or R, R being an hydroxy or a ca

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