3-Isoquinolinylmethanol

Basic Information

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CAS Number

76884-34-9

Molecular Formula

C10H9NO

Molecular Weight

159.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

81 ºC

Boiling Point

335.1°C at 760 mmHg

Density

1.218±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

156.466 °C

SMILES

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C1=CC=C2C=NC(=CC2=C1)CO

InChI

InChI=1S/C10H9NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-6,12H,7H2

InChIKey

CMGQQHGOFWZGJH-UHFFFAOYSA-N

LogP

1.7271

Topological Polar Surface Area

33.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

149

Safety Information

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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

Synonyms & References

English

AKOS006279633
CS-0019309
J-521569
MFCD01859798
FT-0649748
76884-34-9
FS-2792
DTXSID20512115
isoquinolin-3-ylmethanol
AE-477/25037015
CMGQQHGOFWZGJH-UHFFFAOYSA-N
Isoquinolin-3-yl-methanol
3-(hydroxymethyl)isoquinoline
3-Isoquinolinemethanol
(R)-2-HYDROXYBUTYLTOSYLATE
isoquinolin-3-yl methanol
3-Isoquinolylmethanol
(isoquinolin-3-yl)methanol
SCHEMBL1999306
AMY1762
SY110756
A9739
3-Hydroxymethylisoquinoline
Isoquinolin-3-ylmethanol
3-(Hydroxymethyl)isoquinoline
Isoquinoline-3-methanol
3-isoquinolylmethan-1-ol
RW3344
FCH844927
SBB087369
RP02094

MDL Number

MFCD01859798

Customs Code

2933499090

FAQ

What are the physical and chemical properties of 3-Isoquinolinylmethanol (CAS: 76884-34-9)?

3-Isoquinolinylmethanol (CAS: 76884-34-9) is a crystalline solid with a molecular weight of approximately 173.21 g/mol. It has a high solubility in organic solvents like methanol and ethanol. Chemically, it is slightly basic and can participate in condensation reactions. It is stable under normal conditions but may show limited reactivity with strong acids or bases.

How is 3-Isoquinolinylmethanol (CAS: 76884-34-9) typically synthesized?

3-Isoquinolinylmethanol is typically synthesized through a condensation reaction between isoquinoline and methanol in the presence of a catalyst such as p-toluenesulfonic acid. The synthesis involves heating the mixture under reflux to achieve a high yield, with careful control of temperature and time to ensure selectivity.

What industries use 3-Isoquinolinylmethanol (CAS: 76884-34-9)?

3-Isoquinolinylmethanol (CAS: 76884-34-9) is used in the pharmaceutical industry for the synthesis of certain drugs. It is also found in the polymer industry as a monomer for the production of various polymers. Additionally, it has applications in the sensor technology and semiconductor industries due to its functional groups.

What precautions should be taken when handling 3-Isoquinolinylmethanol (CAS: 76884-34-9)?

When handling 3-Isoquinolinylmethanol (CAS: 76884-34-9), it is important to use personal protective equipment (PPE) such as safety goggles, gloves, and a lab coat. Work should be conducted in a well-ventilated area or under a fume hood. Spills should be cleaned up immediately using appropriate absorbents. Always refer to the Material Safety Data Sheet (MSDS/SDS) for detailed safety information.