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5-Trifluoromethoxy-benzo[b]thiophene-2-carboxylic acid is a chemical compound belonging to the benzo[b]thiophene class, featuring a benzo[b]thiophene ring with a carboxylic acid group and a trifluoromethoxy substituent. 5-TRIFLUOROMETHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID is known for its versatile reactivity and functional groups, as well as the enhanced lipophilicity and stability provided by the trifluoromethoxy substituent, making it a valuable asset in various industries.

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  • 885279-13-0 Structure
  • Basic information

    1. Product Name: 5-TRIFLUOROMETHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID
    2. Synonyms: 5-TRIFLUOROMETHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID
    3. CAS NO:885279-13-0
    4. Molecular Formula: C10H5F3O3S
    5. Molecular Weight: 262.21
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 885279-13-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 357.8±37.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.580±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 3.29±0.30(Predicted)
    10. CAS DataBase Reference: 5-TRIFLUOROMETHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID(CAS DataBase Reference)
    11. NIST Chemistry Reference: 5-TRIFLUOROMETHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID(885279-13-0)
    12. EPA Substance Registry System: 5-TRIFLUOROMETHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID(885279-13-0)
  • 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: 885279-13-0(Hazardous Substances Data)

885279-13-0 Usage

Uses

Used in Pharmaceutical Industry:
5-Trifluoromethoxy-benzo[b]thiophene-2-carboxylic acid is used as an intermediate in the synthesis of pharmaceutical compounds for its versatile reactivity and functional groups, contributing to the development of new drugs with improved properties.
Used in Agrochemical Industry:
In the agrochemical field, 5-Trifluoromethoxy-benzo[b]thiophene-2-carboxylic acid serves as an intermediate in the synthesis of agrochemicals, potentially leading to the creation of more effective and stable pesticides or other agricultural chemicals.
Used in Materials Science:
5-Trifluoromethoxy-benzo[b]thiophene-2-carboxylic acid is utilized in materials science as an intermediate for the development of new materials with specific properties, such as enhanced stability or improved performance in various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 885279-13-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,8,5,2,7 and 9 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 885279-13:
(8*8)+(7*8)+(6*5)+(5*2)+(4*7)+(3*9)+(2*1)+(1*3)=220
220 % 10 = 0
So 885279-13-0 is a valid CAS Registry Number.

885279-13-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-(trifluoromethoxy)-1-benzothiophene-2-carboxylic acid

1.2 Other means of identification

Product number -
Other names 5-(Trifluoromethoxy)benzo[b]thiophene-2-carboxylic 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:885279-13-0 SDS

885279-13-0Downstream Products

885279-13-0Relevant articles and documents

Design, synthesis, and biological activity evaluation of 2-(benzo[b]thiophen-2-yl)-4-phenyl-4,5-dihydrooxazole derivatives as broad-spectrum antifungal agents

Zhao, Liyu,Sun, Yin,Yin, Wenbo,Tian, Linfeng,Sun, Nannan,Zheng, Yang,Zhang, Chu,Zhao, Shizhen,Su, Xin,Zhao, Dongmei,Cheng, Maosheng

, (2021/11/22)

To discover antifungal compounds with broad-spectrum and stable metabolism, a series of 2-(benzo[b]thiophen-2-yl)-4-phenyl-4,5-dihydrooxazole derivatives was designed and synthesized. Compounds A30-A34 exhibited excellent broad-spectrum antifungal activity against Candida albicans with MIC values in the range of 0.03–0.5 μg/mL, and against Cryptococcus neoformans and Aspergillus fumigatus with MIC values in the range of 0.25–2 μg/mL. In addition, compounds A31 and A33 showed high metabolic stability in human liver microsomes in vitro, with the half-life of 80.5 min and 69.4 min, respectively. Moreover, compounds A31 and A33 showed weak or almost no inhibitory effect on the CYP3A4 and CYP2D6. The pharmacokinetic evaluation in SD rats showed that compound A31 had suitable pharmacokinetic properties and was worthy of further study.

METHOD FOR PROMOTING PLANT GROWTH

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Paragraph 0435; 0436; 0437, (2015/11/16)

The present invention provides a method for promoting plant growth, which comprises treating a plant with at least one compound selected from a group consisting of a compound represented by the following Formula (1): and an agriculturally acceptable salt thereof, provided that a method for promoting plant growth which comprises treating plants with a compound corresponding to any one of the following (1) to (5) and an agriculturally acceptable salt thereof is excluded: (1) 4-(Trifluoromethyl)benzo[b]thiophene-2-carboxylic acid, (2) 5-(Trifluoromethyl)benzo[b]thiophene-2-carboxylic acid, (3) 6-(Trifluoromethyl)benzo[b]thiophene-2-carboxylic acid, (4) 7-(Trifluoromethyl)benzo[b]thiophene-2-carboxylic acid, and (5) Benzo[b]thiophene-2-carboxylic acid.

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