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104761-51-5

2-[(4-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]benzoic acid is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 104761-51-5 Structure

  • Basic information

    1. Product Name: 2-[(4-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]benzoic acid
    2. Synonyms:
    3. CAS NO:104761-51-5
    4. Molecular Formula: C18H17FO2
    5. Molecular Weight: 284.3248
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 104761-51-5.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 437.6°C at 760 mmHg
    3. Flash Point: 218.5°C
    4. Appearance: N/A
    5. Density: 1.223g/cm3
    6. Vapor Pressure: 1.97E-08mmHg at 25°C
    7. Refractive Index: 1.597
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 2-[(4-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]benzoic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-[(4-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]benzoic acid(104761-51-5)
    12. EPA Substance Registry System: 2-[(4-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]benzoic acid(104761-51-5)

  • 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: 104761-51-5(Hazardous Substances Data)

104761-51-5 Usage

Derivative of

Benzoic acid

Contains

Fluoro-substituted tetrahydronaphthalene ring
Potential pharmaceutical applications
Structural similarity to other biologically active molecules
Importance in medicinal chemistry research
Understanding potential biological activity and therapeutic uses

Check Digit Verification of cas no

The CAS Registry Mumber 104761-51-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,4,7,6 and 1 respectively; the second part has 2 digits, 5 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 104761-51:
(8*1)+(7*0)+(6*4)+(5*7)+(4*6)+(3*1)+(2*5)+(1*1)=105
105 % 10 = 5
So 104761-51-5 is a valid CAS Registry Number.

104761-51-5SDS

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 2-[(4-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]benzoic acid

1.2 Other means of identification

Product number -
Other names -

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:104761-51-5 SDS

104761-51-5Relevant articles and documents

The 5-, 6-, and 10-Fluoro-1,2,3,4-tetrahydro-7,12-dimethylbenzanthracenes. Comparative Acid-Catalyzed Isomerization to Exo Methylene Tautomers: A 6-Fluoro Peri Effect

Witiak, Donald T.,Abood, Norman A.,Goswami, Shyamaprosad,Milo, George E.

, p. 4499 - 4507 (2007/10/02)

Syntheses for 5-, 6-, and 10-fluoro-1,2,3,4-tetrahydro-7,12-dimethylbenzanthracenes (3-5) from an aminotetralin-HCl 6, fluorotetralin 14, and tetrahydronaphthaldehyde 29, respectively, are described.Comparative acid-catalyzed isomerization studies in refluxing benzene revealed that the 6-F analogue 4 equilibrates with 12- and 7-methylene tautomers 20 and 21 within 1 h.When the 12-methylene tautomer 20 was treated with p-toluenesulfonic acid in refluxing benzene the thermodynamic product ratio (4/20/21 = 1.0:0.6:2.8) was obtained after 72 h.These data are markedlydifferent than results observed for acid-catalyzed isomerization of 1,2,3,4-tetrahydro-7,12-dimethylbenzanthracene (TH-DMBA, 1), 5F-TH-DMBA (3) or 10F-TH-DMBA (5) which after 72 h only afforded aryl to 7-methylene isomer ratios of 14:1, 8:1 and 8:1, respectively.The additional peri interaction between the 7-CH3 and 6-F functions of 4 serves as explanation for the facile acid-catalyzed isomerization of 4 to the sterically least crowded, thermodynamically more stable 7-methylene tautomer 21.

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