4-Bromobenzenethiol

Basic Information

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CAS Number

106-53-6

Molecular Formula

C6H5BrS

Molecular Weight

189.08 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

73.0 to 76.0 deg-C

Boiling Point

231°C

Flash Point

239°C

SMILES

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C1=CC(=CC=C1S)Br

InChI

InChI=1S/C6H5BrS/c7-5-1-3-6(8)4-2-5/h1-4,8H

InChIKey

FTBCOQFMQSTCQQ-UHFFFAOYSA-N

LogP

2.737800000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

66.9

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 8 (6.1) Class 8 (6.1)

Sensitiveness

Air Sensitive

Synonyms & References

English

4-Bromobenzene thiol
UNII-P3WUO03X17
4-bromo-thiophenol
F0001-0127
J-514845
MFCD00004845
NSC 32018
EN300-20305
DTXSID8059340
4-Bromobenzenethiol
p-Bromophenyl thiol
InChI=1/C6H5BrS/c7-5-1-3-6(8)4-2-5/h1-4,8H
NSC32018
B1385
EINECS 203-407-3
P3WUO03X17
SCHEMBL17193
NSC229563
Benzenethiol, p-bromo-
4-bromophenylthiol
4-bromo-benzenethio
4-Bromothiophenol
p-Bromothiophenol
Benzenethiol, 4-bromo-
4-bromobenzene-1-thiol
4bromo-benzenethiol
p-Bromobenzenethiol
4-Bromothiophenol, 95%
FTBCOQFMQSTCQQ-UHFFFAOYSA-
CHEMBL278240
106-53-6

MDL Number

MFCD00004845

Customs Code

29309070

FAQ

What is 4-Bromobenzenethiol (CAS: 106-53-6)?

4-Bromobenzenethiol (CAS: 106-53-6) is an organic compound with the molecular formula C6H5BrSH. It is a colorless to light yellow liquid with a strong odor. It is a brominated derivative of benzenethiol and is used in various organic synthesis reactions.

What are the main uses of 4-Bromobenzenethiol (CAS: 106-53-6)?

4-Bromobenzenethiol (CAS: 106-53-6) is primarily used in the synthesis of other organic compounds, particularly those involving bromine substitution. It is also used as a reagent in analytical chemistry and in the production of certain pharmaceuticals and dyes.

Is 4-Bromobenzenethiol (CAS: 106-53-6) safe?

4-Bromobenzenethiol (CAS: 106-53-6) is potentially toxic and should be handled with care. It can cause skin irritation and respiratory issues. It is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Storage and handling should adhere to safety standards, and it should be kept away from ignition sources and oxidizers.

How should 4-Bromobenzenethiol (CAS: 106-53-6) be stored?

4-Bromobenzenethiol (CAS: 106-53-6) should be stored in a cool, well-ventilated area, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent exposure to air and moisture. Storage temperatures should not exceed 25°C. It is important to ensure the container is undamaged and to avoid any contact with incompatible materials such as oxidizers or strong acids.