(4-Bromo-2-thienyl)methanol

Basic Information

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CAS Number

79757-77-0

Molecular Formula

C5H5BrOS

Molecular Weight

193.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

No data available

Melting Point

32-35°C

Boiling Point

271.5°C at 760 mmHg

Density

1.773

Flash Point

118.0±23.2 °C

Refractive Index

1.631

SMILES

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C1=C(SC=C1Br)CO

InChI

InChI=1S/C5H5BrOS/c6-4-1-5(2-7)8-3-4/h1,3,7H,2H2

InChIKey

PXZNJHHUYJRFPZ-UHFFFAOYSA-N

LogP

2.0029

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

78.8

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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

AS-18555
(4-bromothiophen-2-yl)methanol
A9929
B5060
Z362636152
(4-bromothiophen-2-yl)-methanol
CHEMBL4593260
(4-bromo-2-thiophenyl)methanol
EN300-76815
4-bromo-thiophene-2-methanol
(4-bromanylthiophen-2-yl)methanol
DTXSID60383705
FT-0604745
(3-bromo-5-thienyl)methanol
4-BROMO-2-(HYDROXYMETHYL)THIOPHENE
PROCATEROLHYDROCHLORIDEHEMIHYDRATE
4-BROMO-2-THIOPHENEMETHANOL
AMY4597
PB12803
PXZNJHHUYJRFPZ-UHFFFAOYSA-N
SY023657
A839751
MFCD04115392
AKOS009097885
2-Thiophenemethanol, 4-bromo-
(4-bromo-thiophen-2-yl)-methanol
(4-bromo-2-thienyl)methanol, AldrichCPR
79757-77-0
4-BROMOTHIOPHENE-2-METHANOL
CS-0042536
J-501366

MDL Number

MFCD04115392

Customs Code

2934999090

FAQ

What are the physical and chemical properties of (4-Bromo-2-thienyl)methanol (CAS: 79757-77-0)?

(4-Bromo-2-thienyl)methanol, also known as 2-(4-bromothiophen-2-yl)ethanol, is a crystalline solid with a molecular weight of approximately 228.04 g/mol. It has a low solubility in water (0.015 g/100 mL at 25°C) and is more soluble in organic solvents such as methanol and ethanol. It is reactive towards nucleophiles and can undergo substitution reactions. This compound exhibits good thermal stability and is stable in air under normal conditions.

How is (4-Bromo-2-thienyl)methanol (CAS: 79757-77-0) typically synthesized?

(4-Bromo-2-thienyl)methanol is typically synthesized by reacting 2-bromothiophene with methanol in the presence of a base such as sodium hydroxide. The reaction is carried out in an aprotic solvent like dimethylformamide (DMF) at elevated temperatures. The yield is generally around 70-80%, with good selectivity towards the desired product. The reaction is monitored by thin-layer chromatography (TLC) or nuclear magnetic resonance (NMR) spectroscopy.

What industries use (4-Bromo-2-thienyl)methanol (CAS: 79757-77-0)?

(4-Bromo-2-thienyl)methanol is utilized in various industries, including pharmaceuticals, where it serves as a precursor for the synthesis of active pharmaceutical ingredients (APIs). It is also used in the production of semiconductors and as a component in sensor technology. In the polymer industry, it can be incorporated into polymer formulations to enhance specific properties such as thermal stability or conductivity.

What precautions should be taken when handling (4-Bromo-2-thienyl)methanol (CAS: 79757-77-0)?

Handling (4-Bromo-2-thienyl)methanol requires caution due to its reactivity. It is recommended to wear personal protective equipment (PPE) such as gloves, goggles, and a lab coat to protect against skin contact and inhalation of fumes. Work should be conducted in a fume hood to minimize exposure. In case of a spill, neutralize the area with a suitable absorbent material and dispose of it according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.