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3-Bromothiophenol is an organic compound that belongs to the class of thiophene derivatives. It is characterized by the presence of a bromine atom at the 3rd position and a thiol group, making it a valuable intermediate in the synthesis of various organic compounds. It appears as a clear, colorless to light yellow liquid.

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  • 6320-01-0 Structure
  • Basic information

    1. Product Name: 3-BROMOTHIOPHENOL
    2. Synonyms: 3-Bromophenylmercaptan;Benzenethiol, 3-bromo-;m-Bromothiophenol;M-BROMOBENZENETHIOL;3-BROMOBENZENETHIOL;3-BROMOTHIOPHENOL;3-Bromothiophenol 97%;3-Bromothiophenol97%
    3. CAS NO:6320-01-0
    4. Molecular Formula: C6H5BrS
    5. Molecular Weight: 189.07
    6. EINECS: 228-664-9
    7. Product Categories: Phenol&Thiophenol&Mercaptan;Miscellaneous
    8. Mol File: 6320-01-0.mol
  • Chemical Properties

    1. Melting Point: 214-215 °C(Solv: isopropanol (67-63-0))
    2. Boiling Point: 123-124 °C40 mm Hg(lit.)
    3. Flash Point: 105 °C
    4. Appearance: White to light beige/Crystalline Powder
    5. Density: 1.832 g/mL at 25 °C(lit.)
    6. Vapor Pressure: 0.169mmHg at 25°C
    7. Refractive Index: n20/D 1.634(lit.)
    8. Storage Temp.: Refrigerator
    9. Solubility: N/A
    10. PKA: 5.83±0.10(Predicted)
    11. Sensitive: Stench
    12. BRN: 1926242
    13. CAS DataBase Reference: 3-BROMOTHIOPHENOL(CAS DataBase Reference)
    14. NIST Chemistry Reference: 3-BROMOTHIOPHENOL(6320-01-0)
    15. EPA Substance Registry System: 3-BROMOTHIOPHENOL(6320-01-0)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 26-36
    4. RIDADR: 2811
    5. WGK Germany: 3
    6. RTECS:
    7. F: 10-13-23
    8. HazardClass: 8
    9. PackingGroup: III
    10. Hazardous Substances Data: 6320-01-0(Hazardous Substances Data)

6320-01-0 Usage

Uses

Used in Chemical Synthesis:
3-Bromothiophenol is used as a key intermediate in the synthesis of various organic compounds, particularly those involving thiophene and its derivatives. Its unique structure allows for further functionalization and modification, making it a versatile building block in organic chemistry.
Used in Pharmaceutical Industry:
3-Bromothiophenol is used as a starting material for the development of new pharmaceutical compounds. Its ability to be functionalized with sulfonium groups and other moieties makes it a promising candidate for the creation of novel drugs with potential therapeutic applications.
Used in Material Science:
3-Bromothiophenol can be used in the development of functional materials, such as those with specific electronic, optical, or magnetic properties. Its versatility in chemical synthesis allows for the creation of materials with tailored properties for various applications, including sensors, energy storage, and electronic devices.

Check Digit Verification of cas no

The CAS Registry Mumber 6320-01-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,3,2 and 0 respectively; the second part has 2 digits, 0 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 6320-01:
(6*6)+(5*3)+(4*2)+(3*0)+(2*0)+(1*1)=60
60 % 10 = 0
So 6320-01-0 is a valid CAS Registry Number.
InChI:InChI=1/C6H5BrS/c7-5-2-1-3-6(8)4-5/h1-4,8H/p-1

6320-01-0 Well-known Company Product Price

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  • (Code)Product description
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  • Alfa Aesar

  • (B25092)  3-Bromothiophenol, 97%   

  • 6320-01-0

  • 1g

  • 246.0CNY

  • Detail
  • Alfa Aesar

  • (B25092)  3-Bromothiophenol, 97%   

  • 6320-01-0

  • 5g

  • 835.0CNY

  • Detail
  • Alfa Aesar

  • (B25092)  3-Bromothiophenol, 97%   

  • 6320-01-0

  • 25g

  • 3717.0CNY

  • Detail
  • Aldrich

  • (259306)  3-Bromothiophenol  95%

  • 6320-01-0

  • 259306-5G

  • 1,013.22CNY

  • Detail

6320-01-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-BROMOTHIOPHENOL

1.2 Other means of identification

Product number -
Other names 3-bromobenzenethiol

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:6320-01-0 SDS

6320-01-0Relevant articles and documents

Oxidative cleavage of S-Arylmercaptoacetic acids by pyridinium chlorochromate: Kinetic and correlation analysis

Kabilan,Girija,Rajagopal

, p. 683 - 688 (2007/10/03)

Kinetics of oxidation of 24 S-Arylmercaptoacetic acids (SAMA) by pyridinium chlorochromate (PCC) 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 well with σI, σ°R values and the meta-compounds correlate well with F,R values. The reaction constants are negative and of smaller magnitudes. Further, the ortho-substituted acids show a good correlation with triparametric equation involving Taft's σI and σ°R and charton's steric parameter v. There is no considerable steric contribution to the total orthosubstituent effect. Based on these observations, the mechanism involving the formation of protonated arylsulfinylacetic acid intermediate, followed by an intramolecular rearrangement leading to the product thiophenol has been proposed.

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.

Electrophilic Aromatic Substitution. Part 33. Partial Rate Factors for Protiodetritiation of Benzothiophen; the Resonance-dependent Reactivity of the Ring Positions

Amin, Hassan B.,Awad, Amin A.,Archer, William J.,Taylor, Roger

, p. 1489 - 1492 (2007/10/02)

Rate coefficients for detriation of benzothiophen, specifically labelled with tritium at each position, have been measured in anhydrous trifluoroacetic acid, and, for benzothiophen, in a range of trifluoroacetic acid-acetic acid mixtures, all at 70 deg C.The dependence of rate upon acidity is consistent with the effect of hydrogen bonding between sulphur and trifluoroacetic acid, as found previously for other sulphur-containing heterocycles.Partial rate factors, corrected for the effect of hydrogen bonding are (positions in parentheses): 8.84 * 105 (2); 1.18 * 106 (3); 360 (4); 13200 (5); 16200 (6); and 26.2 (7); the corresponding ?+ values are -0.68, -0.695, -0.29, -0.47, -0.48, and -0.16.The positional reactivity order is the same as found in pyrolysis of 1-arylethyl acetates, and solvolysis of 1-arylethyl chlorides, but the ?+ values are more negative due to the greater demand for resonance stabilization of the transition states in hydrogen exchange.Comparison of the 2- : 3-isomer ratios in various substitutions leads to the unexpected conclusion that substitution at the 2-position is subject to steric effects, probably due to the proximity of the sulphur d-orbitals.

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