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4-Bromothiophenol - 97%, high purity , CAS No.106-53-6

9 Citations

COA

Grade & Purity:

≥97%

Cas Number: 106-53-6
Molecular Weight: 189.07
Beilstein Registry Number: 507031
EC Number: 203-407-3
MDL number: MFCD00004845
PubChem CID: 66049
PubChem SID: 488183715

In stock

Item Number

B101773

Grouped product items
SKU	Size	Availability	Price
B101773-5g	5g	4	$35.90
B101773-10g	10g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$63.90
B101773-25g	25g	3	$142.90
B101773-100g	100g	4	$512.90
B101773-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,306.90

View related series

Non heterocyclic block (8163) Sulfur containing compounds (986)

Basic Description

Synonyms	InChI=1/C6H5BrS/c7-5-1-3-6(8)4-2-5/h1-4,8H \| NSC229563 \| NSC-229563 \| 4-bromo thiophenol \| 4-bromophenylthiol \| B1385 \| STR00881 \| 4-Bromothiophenol, 95% \| MFCD00004845 \| Benzenethiol, 4-bromo- \| 2XE \| 4-Bromobenzenethiol \| 4-Bromo-benzenethiol \| 4bromo-b
Specifications & Purity	≥97%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Thiophenols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Thiophenols
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thiophenols
Alternative Parents	Bromobenzenes Aryl bromides Thiols Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Thiophenol - Halobenzene - Bromobenzene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Arylthiol - Hydrocarbon derivative - Organosulfur compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as thiophenols. These are compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488183715
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183715
IUPAC Name	4-bromobenzenethiol
INCHI	InChI=1S/C6H5BrS/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKey	FTBCOQFMQSTCQQ-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1S)Br
Isomeric SMILES	C1=CC(=CC=C1S)Br
WGK Germany	3
UN Number	3335
Molecular Weight	189.07
Beilstein	507031
Reaxy-Rn	507031
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507031&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

16 results found

Lot Number	Certificate Type	Date	Item
I2318136	Certificate of Analysis	Jun 09, 2025	B101773
L2425190	Certificate of Analysis	Dec 31, 2024	B101773
L2419350	Certificate of Analysis	Dec 26, 2024	B101773
C2309148	Certificate of Analysis	Dec 09, 2024	B101773
C2309147	Certificate of Analysis	Dec 09, 2024	B101773
C2309146	Certificate of Analysis	Dec 09, 2024	B101773
J2425204	Certificate of Analysis	Nov 06, 2024	B101773
G2429212	Certificate of Analysis	Aug 15, 2024	B101773
J1812110	Certificate of Analysis	Mar 13, 2024	B101773
C2211239	Certificate of Analysis	Dec 22, 2023	B101773
C2211310	Certificate of Analysis	Dec 22, 2023	B101773
C2211295	Certificate of Analysis	Dec 22, 2023	B101773
I1924049	Certificate of Analysis	Jun 08, 2023	B101773
H2114039	Certificate of Analysis	May 12, 2023	B101773
H2114037	Certificate of Analysis	May 12, 2023	B101773
C2211320	Certificate of Analysis	Feb 12, 2022	B101773

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Chemical and Physical Properties

Solubility	Soluble in methanol
Sensitivity	Air sensitive.
Boil Point(°C)	239°C
Melt Point(°C)	73-76°C
Molecular Weight	189.070 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	187.93 Da
Monoisotopic Mass	187.93 Da
Topological Polar Surface Area	1.000 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	66.900
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Ying-Hua Zhou, Chen-Chen Jiang, Zhou Yu, Ya-Hao Wang, Ju-Fang Zheng, Xiao-Shun Zhou. (2023) In situ Raman monitoring of electroreductive dehalogenation of aryl halides at an Ag/aqueous solution interface. Analytical Methods, 15 (6): (771-777).
2. Bingfang Zou, Shiyun Lou, Jizhou Wang, Shaomin Zhou, Yongqiang Wang. (2022) Periodic Surface-Enhanced Raman Scattering-Encoded Magnetic Beads for Reliable Quantitative Surface-Enhanced Raman Scattering-Based Multiplex Bioassay. ANALYTICAL CHEMISTRY, 94 (33): (11557–11563).
3. Chen-Chen Jiang, Xiao-Chong Li, Jian-Ang Fan, Jia-Ying Fu, Xu-Nan Huang-Fu, Jia-Jie Li, Ju-Fang Zheng, Xiao-Shun Zhou, Ya-Hao Wang. (2022) Electrochemically activated carbon–halogen bond cleavage and C–C coupling monitored by in situ shell-isolated nanoparticle-enhanced Raman spectroscopy. ANALYST, 147 (7): (1341-1347).
4. Jinmao You, Kun Dou, Cuihua Song, Guoliang Li, Zhiwei Sun, Shijuan Zhang, Guang Chen, Xianen Zhao, Na Hu, Wu Zhou. (2017) 3-(2-Bromoacetamido)-N-(9-ethyl-9H)-carbazol fluorescent probe and its application for the determination of thiophenols in rubber products by HPLC with fluorescence detection and atmospheric chemical ionization mass spectrometry identification. JOURNAL OF SEPARATION SCIENCE, 40 (12): (2528-2540).
5. Hao Hao, Meng Liu, Ge Tang, Yi Liu, Feng-Lei Jiang. (2024) CdSe/ZnS Quantum Dots with Enhanced Stability and Conductivity by Thiolphenyl Ligands for Displays. ACS Applied Nano Materials, 7 (11): (12653-12663).
6. Yujun Cheng, Jianping Guan, Zhipeng Zhang, Ruili Li, Yao Yao, Xiaotong Sun, Qi Liu, Xiaoqing Chen. (2025) In Situ SERS Monitoring and Heterogeneous Catalysis Verification of Pd-Catalyzed Suzuki–Miyaura Reaction via Bifunctional “Black Raspberry-like” Plasmonic Nanoreactors. ANALYTICAL CHEMISTRY, 97 (10): (5445-5453).
7. Ge Tang, Xiao-Hang He, Meng Liu, Hao Hao, Yi Liu, Feng-Lei Jiang. (2024) Insights into the Fluorescence Quenching of CdSeS Quantum Dots by Thiophenol Ligands. Journal of Physical Chemistry C, 128 (21): (8681-8688).
8. Kaili Wang, Yameng Zhu, Liuyingzi Yu, Lu Jiang, Xinya Chen, Zhihao Lu, Kun Gao, Xing Kang, Zhongyan Gong, Qiming Peng, Gang Lu. (2024) Modulating the Plasmon-Mediated Decarboxylation Reaction on Silver Nanoparticles by Changing the Surface Adsorption of Molecular Cocatalysts of p-Hydroxythiophenol. Journal of Physical Chemistry C, 128 (8): (3361-3369).
9. Yunjia Wei, Dexiang Chen, Xingce Fan, Xiao Tang, Lei Yao, Xing Zhao, Qiang Li, Jiawei Wang, Teng Qiu, Qi Hao. (2024) Unveiling Plasmon-Induced Suzuki–Miyaura Reactions on Silver Nanoparticles via Raman Spectroscopy. ACS Catalysis, 14 (20): (15043-15051).

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