2-(2-Thienyl)ethyl 4-methylbenzenesulfonate

Basic Information

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CAS Number

40412-06-4

Molecular Formula

C13H14O3S2

Molecular Weight

282.39 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

30.0 to 34.0 deg-C

Boiling Point

433.2°C at 760 mmHg

SMILES

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CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=CS2

InChI

InChI=1S/C13H14O3S2/c1-11-4-6-13(7-5-11)18(14,15)16-9-8-12-3-2-10-17-12/h2-7,10H,8-9H2,1H3

InChIKey

HLPRKWVEMYDPAU-UHFFFAOYSA-N

LogP

3.004520000000002

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

340

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Synonyms & References

English

EINECS 254-911-5
DKB7RKL3U8
2-(2-Thienyl)ethyl-4-toluene sulfonate
A25004
T3064
CS-M1300
FT-0659609
BCP22702
NS00030779
EN300-7153166
p-Toluenesulfonic Acid 2-(2-Thienyl)ethyl Ester
AC-23325
2-(2-thienyl)-ethyl para-toluenesulfonate
2-[2-(4-toluenesulfonyloxy)ethyl]thiophene
UNII-DKB7RKL3U8
2-(2-thienyl)ethyl paratoluene sulfonate
HLPRKWVEMYDPAU-UHFFFAOYSA-N
SY053165
SCHEMBL1418052
2-THIENYLETHYL P-TOLUENESULFONATE
[2-(2-thienyl)ethyl] 4-methylbenzenesulfonate
2-(2-Thienyl)ethyl p-Toluenesulfonate
H10887
40412-06-4
AMY38861
MFCD05150366
DTXSID80193429
2-(2-thienyl)-ethyl paratoluene sulfonate
2-(thiophen-2-yl)ethyl 4-methylbenzene-1-sulfonate
2-(2-Thienyl)ethyl toluene-p-sulphonate
2-Thiopheneethanol, 2-(4-methylbenzenesulfonate)

MDL Number

MFCD05150366

Customs Code

2934999090

FAQ

What is 2-(2-Thienyl)ethyl 4-methylbenzenesulfonate (CAS: 40412-06-4)?

2-(2-Thienyl)ethyl 4-methylbenzenesulfonate (CAS: 40412-06-4) is an organosulfonate compound with a thiophene ring and a 4-methylbenzenesulfonate group. It is a white or off-white crystalline solid with a molecular weight of approximately 273.2 g/mol.

What are the main uses of 2-(2-Thienyl)ethyl 4-methylbenzenesulfonate (CAS: 40412-06-4)?

2-(2-Thienyl)ethyl 4-methylbenzenesulfonate (CAS: 40412-06-4) is primarily used in the pharmaceutical industry as a precursor for drug synthesis and as a chemical intermediate. It is also utilized in the production of dyes and other organic compounds.

Is 2-(2-Thienyl)ethyl 4-methylbenzenesulfonate (CAS: 40412-06-4) safe?

The compound is generally considered safe for use under normal conditions, but it should be handled with caution. It is not classified as a hazardous material, but it is important to follow safety guidelines, such as wearing protective gloves and goggles. Storage should be in a cool, dry place, away from direct sunlight and heat sources.

How should 2-(2-Thienyl)ethyl 4-methylbenzenesulfonate (CAS: 40412-06-4) be stored?

2-(2-Thienyl)ethyl 4-methylbenzenesulfonate (CAS: 40412-06-4) should be stored in a cool, dry place, protected from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. Avoid contact with incompatible materials such as strong acids, bases, or oxidizers.