3,4,5-Trihydroxybenzaldehyde

Basic Information

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CAS Number

13677-79-7

Molecular Formula

C7H6O4

Molecular Weight

154.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Powder

Melting Point

211-213°C

Boiling Point

355.3℃ at 760 mmHg

Flash Point

182.9 °C

Solubility

Soluble in DMSO and Methanol.

Refractive Index

1.6400 (estimate)

SMILES

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C1=C(C=C(C(=C1O)O)O)C=O

InChI

InChI=1S/C7H6O4/c8-3-4-1-5(9)7(11)6(10)2-4/h1-3,9-11H

InChIKey

RGZHEOWNTDJLAQ-UHFFFAOYSA-N

LogP

0.6158999999999997

Topological Polar Surface Area

77.76 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

135

Safety Information

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Storage Conditions

2-8℃

Sensitiveness

Air Sensitive

Synonyms & References

English

FT-0614151
EINECS 237-168-1
UNII-C2K4P9N82X
NS00024438
SY066817
CHEMBL254710
3,4,5-Trihydroxybenzaldehyde
W-111728
Z1198147195
3,4,5-tris(oxidanyl)benzaldehyde
NSC153692
Gallaldehyde
DS-16252
AKOS006228490
YSWG237
Pyrogallol-5-carboxaldehyde
EN300-266992
C2K4P9N82X
benzaldehyde, 3,4,5-trihydroxy-
Gallic aldehyde
A807127
3,4,5-trihydroxy-benzaldehyde
BDBM50234647
DTXSID10159917
InChI=1/C7H6O4/c8-3-4-1-5(9)7(11)6(10)2-4/h1-3,9-11
NSC-153692
NSC 153692
SCHEMBL132439
13677-79-7
3,4,5-Trihydroxyl benzaldehyde
MFCD00003371

MDL Number

MFCD00003371

Customs Code

2912499000

FAQ

What are the physical and chemical properties of 3,4,5-Trihydroxybenzaldehyde (CAS: 13677-79-7)?

3,4,5-Trihydroxybenzaldehyde (CAS: 13677-79-7) is a white crystalline solid with a molecular weight of approximately 198.16 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and acetone. Chemically, it is highly reactive, especially towards nucleophiles and reducing agents due to the presence of multiple hydroxyl groups.

How is 3,4,5-Trihydroxybenzaldehyde (CAS: 13677-79-7) typically synthesized?

3,4,5-Trihydroxybenzaldehyde (CAS: 13677-79-7) can be synthesized from 1,3,5-trihydroxybenzene through a series of reactions including reduction of the carbonyl group. Common methods involve catalytic hydrogenation using palladium-based catalysts or other reducing agents such as sodium borohydride at room temperature. The reaction yields are typically high, and the product is isolated by recrystallization.

What industries use 3,4,5-Trihydroxybenzaldehyde (CAS: 13677-79-7)?

3,4,5-Trihydroxybenzaldehyde (CAS: 13677-79-7) finds applications in various industries, including pharmaceuticals, where it is used as an intermediate in the synthesis of certain drugs. It is also used in the production of fragrances and flavorings, and in the synthesis of dyes and pigments. Additionally, it has potential uses in the development of sensors and semiconductors.

What precautions should be taken when handling 3,4,5-Trihydroxybenzaldehyde (CAS: 13677-79-7)?

When handling 3,4,5-Trihydroxybenzaldehyde (CAS: 13677-79-7), proper personal protective equipment (PPE) is essential, including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be handled carefully using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for specific spill procedures. Exposure to high concentrations can cause skin irritation, so regular hand washing and decontamination are recommended.