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CAS

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127817-85-0

4-Methoxy-2-(trifluoromethyl)benzoic acid is an organic compound characterized by its white powder form. It features a benzoic acid structure with a methoxy group at the 4-position and a trifluoromethyl group at the 2-position, which may contribute to its unique chemical properties and reactivity.

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  • 127817-85-0 Structure

  • Basic information

    1. Product Name: 4-METHOXY-2-(TRIFLUOROMETHYL)BENZOIC ACID
    2. Synonyms: RARECHEM AL BE 1192;4-METHOXY-2-(TRIFLUOROMETHYL)BENZOIC ACID;2-(Trifluoromethyl)-4-methoxybenzoic acid;2-(Trifluoromethyl)-p-anisic acid, 2-Carboxy-5-methoxybenzotrifluoride, 4-Carboxy-3-(trifluoromethyl)anisole
    3. CAS NO:127817-85-0
    4. Molecular Formula: C9H7F3O3
    5. Molecular Weight: 220.15
    6. EINECS: N/A
    7. Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzoic acid
    8. Mol File: 127817-85-0.mol

  • Chemical Properties

    1. Melting Point: 147-150°C
    2. Boiling Point: 274.816 °C at 760 mmHg
    3. Flash Point: 120.004 °C
    4. Appearance: White powder
    5. Density: 1.38 g/cm3
    6. Vapor Pressure: 0.00256mmHg at 25°C
    7. Refractive Index: 1.474
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: 3.50±0.36(Predicted)
    11. CAS DataBase Reference: 4-METHOXY-2-(TRIFLUOROMETHYL)BENZOIC ACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: 4-METHOXY-2-(TRIFLUOROMETHYL)BENZOIC ACID(127817-85-0)
    13. EPA Substance Registry System: 4-METHOXY-2-(TRIFLUOROMETHYL)BENZOIC ACID(127817-85-0)

  • Safety Data

    1. Hazard Codes: Xi
    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: 127817-85-0(Hazardous Substances Data)

127817-85-0 Usage

Uses

Used in Pharmaceutical Industry:
4-Methoxy-2-(trifluoromethyl)benzoic acid is used as a reactant for the synthesis of phenothiazines, which are a class of chemical compounds that include various drugs with a wide range of applications, particularly in the treatment of psychiatric disorders such as schizophrenia and bipolar disorder. The unique structure of 4-Methoxy-2-(trifluoromethyl)benzoic acid allows for the creation of phenothiazine derivatives with potentially improved pharmacological properties.
Used in Chemical Synthesis:
In the field of organic chemistry, 4-Methoxy-2-(trifluoromethyl)benzoic acid can be utilized as a building block or intermediate for the synthesis of various other complex organic molecules. Its specific functional groups and trifluoromethyl substitution may offer advantages in the development of novel compounds with tailored properties for different applications, such as agrochemicals, dyes, or advanced materials.

Check Digit Verification of cas no

The CAS Registry Mumber 127817-85-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,7,8,1 and 7 respectively; the second part has 2 digits, 8 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 127817-85:
(8*1)+(7*2)+(6*7)+(5*8)+(4*1)+(3*7)+(2*8)+(1*5)=150
150 % 10 = 0
So 127817-85-0 is a valid CAS Registry Number.
InChI:InChI=1/C9H7F3O3/c1-15-5-2-3-6(8(13)14)7(4-5)9(10,11)12/h2-4H,1H3,(H,13,14)

127817-85-0 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
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  • Alfa Aesar

  • (H26124)  4-Methoxy-2-(trifluoromethyl)benzoic acid, 98%   

  • 127817-85-0

  • 250mg

  • 757.0CNY

  • Detail

  • Alfa Aesar

  • (H26124)  4-Methoxy-2-(trifluoromethyl)benzoic acid, 98%   

  • 127817-85-0

  • 1g

  • 1940.0CNY

  • Detail

127817-85-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Methoxy-2-(Trifluoromethyl)Benzoic Acid

1.2 Other means of identification

Product number -
Other names 4-Methoxy-2-(trifluoromethyl)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:127817-85-0 SDS

127817-85-0Relevant articles and documents

2-trifluoromethyl-4-hydroxybenzoic acid

-

, (2008/06/13)

Disclosed is a novel compound 2-trifluoromethyl-4-hydroxybenzoic acid represented by the formula: STR1

Process for the preparation of 2-trifluoromethyl-4-hydroxybenzoic acid

-

, (2008/06/13)

Disclosed is a novel compound 2-trifluoromethyl--4-hydroxybenzoic acid represented by the formula:

Antiestrogenic N-(4-hydroxyphenyl)-N-(1,1,1-trifluoro-2-propyl)-4-hydroxybenzamides: Influence of hydrophobic groups substituted in the ortho-position of the benzamide-fragment on activity

Hartmann,Vom Orde,Schonenberger

, p. 73 - 78 (2007/10/02)

Experiments are reported here to develop compounds with antiestrogenic and mammary tumor inhibiting properties. Analogues with hydrophobic groups in 2- or 2,6-position of the benzamide-fragment of N-(4-hydroxyphenyl)-N-(1,1,1-trifluoro-2-propyl)-4-hydroxy

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