(2-Chlorophenyl)methanethiol

Basic Information

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CAS Number

39718-00-8

Molecular Formula

C7H7ClS

Molecular Weight

158.65 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

121°C/25mmHg

Flash Point

120-122°C/25mm

Refractive Index

n20/D 1.5904(lit.)

SMILES

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C1=CC=C(C(=C1)CS)Cl

InChI

InChI=1S/C7H7ClS/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2

InChIKey

WWFIIZLHSNBNTC-UHFFFAOYSA-N

LogP

2.769800000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

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 6.1 Class 6.1

Sensitiveness

Air Sensitive

Synonyms & References

English

FT-0611927
BDBM50325565
o-chlorobenzylmercaptan
SCHEMBL646102
NS00058160
AM100766
2-chlorophenylmethanethiol
C2068
AS-59084
2-Chlorobenzenemethanethiol, 98%
MFCD00004868
PD180399
(2-Chlorophenyl)methanethiol
EN300-124028
AT13680
2-chlorophenyl-methanethiol
Benzenemethanethiol, 2-chloro-
39718-00-8
AC-16423
(2-Chlorophenyl)methanethiol #
AKOS000163896
CHEMBL1224556
2-Chloro benzyl mercaptan
Z55948221
FT-0611922
2-Chlorobenzyl mercaptan
2-Chlorobenzenemethanethiol
2-Chlorobenzylmercaptan
2-CHLOROBENZYL MERCA
2-Chlorobenzylmercaptane
O-CHLOROBENZYL MERCAPTAN

MDL Number

MFCD00004868

Customs Code

2930909090

FAQ

What are the physical and chemical properties of (2-Chlorophenyl)methanethiol (CAS: 39718-00-8)?

(2-Chlorophenyl)methanethiol is a colorless to yellow liquid with a molecular weight of 152.59 g/mol. It has a low solubility in water (0.15 g/100 mL at 20°C) but is more soluble in organic solvents. It is moderately reactive, particularly with alcohols and amines, and may undergo substitution reactions. Its crystalline form is not common, but it can exist as a solid at very low temperatures.

How is (2-Chlorophenyl)methanethiol (CAS: 39718-00-8) typically synthesized?

(2-Chlorophenyl)methanethiol can be synthesized via the addition of hydrogen sulfide to 2-chlorophenylmethanol or by the reduction of 2-chlorophenylmethanone with hydrogen and a suitable catalyst. The reaction conditions can vary, but typically involve mild conditions to avoid over-reduction or decomposition. Yield and selectivity are generally good, making it a reliable method for industrial production.

What industries use (2-Chlorophenyl)methanethiol (CAS: 39718-00-8)?

(2-Chlorophenyl)methanethiol is used in the pharmaceutical industry for the synthesis of various medicinal compounds, in polymer applications for functionalization, in gas sensors for detecting specific gases, and in semiconductor manufacturing for cleaning and etching processes. Its unique chemical properties make it valuable in these fields.

What precautions should be taken when handling (2-Chlorophenyl)methanethiol (CAS: 39718-00-8)?

When handling (2-Chlorophenyl)methanethiol, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up with an appropriate neutralizing agent and proper disposal methods. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.