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  • 2557-77-9 Structure
  • Basic information

    1. Product Name: 3-FLUOROTHIOPHENOL
    2. Synonyms: 3-MERCAPTOFLUOROBENZENE;3-FLUOROTHIOPHENOL;3-FLUOROBENZENETHIOL;3-Fluorothiophenol 98%;3-Fluorothiophenol98%;3-FLUORO THIOPHENOL 98.0%MIN;M-FLUOROTHIOPHENOL (SEE 2087);M-FLUOROTHIOPHENOL (SEE 2246)
    3. CAS NO:2557-77-9
    4. Molecular Formula: C6H5FS
    5. Molecular Weight: 128.17
    6. EINECS: 219-876-2
    7. Product Categories: Fluorobenzene;Phenol&Thiophenol&Mercaptan;Miscellaneous;Fluorine series
    8. Mol File: 2557-77-9.mol
    9. Article Data: 5
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 170 °C(lit.)
    3. Flash Point: 148 °F
    4. Appearance: clear colorless to pale yellow liquid
    5. Density: 1.517 g/mL at 25 °C(lit.)
    6. Vapor Pressure: 2.8mmHg at 25°C
    7. Refractive Index: 1.554
    8. Storage Temp.: Inert atmosphere,Room Temperature
    9. Solubility: N/A
    10. PKA: 5.83±0.10(Predicted)
    11. Sensitive: Stench
    12. BRN: 2039302
    13. CAS DataBase Reference: 3-FLUOROTHIOPHENOL(CAS DataBase Reference)
    14. NIST Chemistry Reference: 3-FLUOROTHIOPHENOL(2557-77-9)
    15. EPA Substance Registry System: 3-FLUOROTHIOPHENOL(2557-77-9)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 26-36-36/37/39-27
    4. RIDADR: 1993
    5. WGK Germany: 3
    6. RTECS:
    7. HazardClass: 3
    8. PackingGroup: III
    9. Hazardous Substances Data: 2557-77-9(Hazardous Substances Data)

2557-77-9 Usage

Description

3-Fluorothiophenol is an organic compound characterized by its clear colorless to pale yellow liquid appearance. It is a derivative of thiophenol, with one hydrogen atom replaced by a fluorine atom at the 3rd position on the thiophene ring. This substitution imparts unique chemical properties to the molecule, making it a versatile building block in the synthesis of various organic compounds.

Uses

Used in Pharmaceutical Industry:
3-Fluorothiophenol is used as a synthetic intermediate for the development of pharmaceutical compounds. Its unique chemical structure allows it to be a key component in the creation of new drugs with potential therapeutic applications.
Used in Chemical Synthesis:
3-Fluorothiophenol is used as a building block in the synthesis of complex organic molecules, such as dibenzo[bc,fg]dithiapentalene. Its fluorinated nature provides specific reactivity and selectivity in chemical reactions, making it a valuable asset in the field of organic chemistry.
Used in Material Science:
3-Fluorothiophenol's unique properties can be exploited in the development of new materials with specific characteristics, such as improved stability, reactivity, or selectivity. It can be used as a starting material for the synthesis of novel polymers, coatings, or other advanced materials with potential applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 2557-77-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,5,5 and 7 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 2557-77:
(6*2)+(5*5)+(4*5)+(3*7)+(2*7)+(1*7)=99
99 % 10 = 9
So 2557-77-9 is a valid CAS Registry Number.
InChI:InChI=1/C6H5FS/c7-5-2-1-3-6(8)4-5/h1-4,8H/p-1

2557-77-9 Well-known Company Product Price

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  • (Code)Product description
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  • TCI America

  • (F0422)  3-Fluorobenzenethiol  >97.0%(GC)

  • 2557-77-9

  • 5g

  • 890.00CNY

  • Detail
  • TCI America

  • (F0422)  3-Fluorobenzenethiol  >97.0%(GC)

  • 2557-77-9

  • 25g

  • 2,650.00CNY

  • Detail
  • Alfa Aesar

  • (B23114)  3-Fluorothiophenol, 98%   

  • 2557-77-9

  • 1g

  • 498.0CNY

  • Detail
  • Alfa Aesar

  • (B23114)  3-Fluorothiophenol, 98%   

  • 2557-77-9

  • 5g

  • 1636.0CNY

  • Detail
  • Alfa Aesar

  • (B23114)  3-Fluorothiophenol, 98%   

  • 2557-77-9

  • 25g

  • 4066.0CNY

  • Detail
  • Aldrich

  • (275387)  3-Fluorothiophenol  95%

  • 2557-77-9

  • 275387-1G

  • 658.71CNY

  • Detail
  • Aldrich

  • (275387)  3-Fluorothiophenol  95%

  • 2557-77-9

  • 275387-5G

  • 2,104.83CNY

  • Detail

2557-77-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-fluorobenzenethiol

1.2 Other means of identification

Product number -
Other names 3-fluorothiobenzene

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:2557-77-9 SDS

2557-77-9Relevant articles and documents

A general and efficient approach to aryl thiols: Cul-catalyzed coupling of aryl iodides with sulfur and subsequent reduction

Jiang, Yongwen,Qin, Yuxia,Xie, Siwei,Zhang, Xiaojing,Dong, Jinhua,Ma, Dawei

supporting information; scheme or table, p. 5250 - 5253 (2009/12/28)

A Cul-catalyzed coupling reaction of aryl iodides and sulfur powder takes place in the presence of K2CO3 at 90 °C. The coupling mixture is directly treated with NaBH4 or triphenylphosphine to afford aryl thiols in good to

Oxidative Cleavage of S-Arylmercaptoacetic Acids by Sodium Perborate: Kinetic and Correlation Study

Kabilan, S.,Pandiarajan, K.,Krishnasamy, K.,Sankar, P.

, p. 443 - 452 (2007/10/02)

Kinetics of oxidation of twenty six S-arylmercaptoacetic acids (SAMA) (I) by sodium perborate (PB) have been studied in acid medium.The product of oxidation is the corresponding thiophenol.The rate data of meta- and para-substituted acids have been correlated with DSP equations.While the para-compounds correlate well with ?I and ?0R values, the meta-compounds correlate well with ?I and ?-R values.The reaction constants are negative and of smaller magnitudes.Further, the ortho-substituted acids show a good correlation with a triparametric equation involving Taft's ?I and ?0R and Charton's steric parameter ν.There is a considerable steric contribution to the total ortho-substituent effect.Based on these observations, mechanism involving the formation of protonated arylsulfinylacetic acid intermediate, followed by an intramolecular rearrangement leading to the product thiophenol has been proposed.

NONCATALEPTIC NEUROLEPTIC AGENTS: 4-SUBSTITUTED 1-(2-CHLORO-7-FLUORO-10,11-DIHYDRODIBENZOTHIEPIN-10-YL)PIPERAZINES AND RELATED COMPOUNDS

Protiva, Miroslav,Jilek, Jiri,Cervena, Irena,Pomykacek, Josef,Bartl, Vaclav,et al.

, p. 2598 - 2616 (2007/10/02)

1-(2-chloro-7-fluoro-10,11-dihydrodibenzothiepin-10-yl)piperazine (VI) was used to prepare a new group of potential noncataleptic neuroleptic agents.Addition of acrylonitrile and acrylamide gave the nitrile VII and the amide X.Further transformations of the nitrile VII led to the phenone VIII and the amidoxime IX.Alkylations of compound VI with 2-(2-chloroethyl)-1,3-dioxolane and 2-(2-chloroethyl)-1,3-dioxane resulted in the cyclic acetals XII and XIII.Several improvements of the synthesis of compound VI are reported.Out of the compounds prepared, the amide X (methanesulfonate VUFB-15496) proved most interesting: it has low acu te toxicity, is noncataleptic and has significantly higher antidopaminergic activity than clozapine.

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