2-Hydroxy(~2~H_4_)benzoic acid

Basic Information

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CAS Number

78646-17-0

Molecular Formula

C7H2D4O3

Molecular Weight

142.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

155-158°C

Boiling Point

336.28°C at 760 mmHg

Density

1.416

Refractive Index

1.616

SMILES

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C1=CC=C(C(=C1)C(=O)O)O

InChI

InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/i1D,2D,3D,4D

InChIKey

YGSDEFSMJLZEOE-RHQRLBAQSA-N

LogP

1.0904000000000003

Topological Polar Surface Area

57.53 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

133

Safety Information

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Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

d4-salicylic acid
HY-W020005
CHEBI:178057
D99011
2,3,4,5-tetradeuterio-6-hydroxybenzoic acid
AKOS030242790
Salicylic Acid-d4
2-Hydroxybenzoic Acid-d4
2-Hydroxy(~2~H_4_)benzoic acid
CS-0031840
78646-17-0
SCHEMBL13916842
DTXSID10676139
2-HYDROXYBENZOIC-3,4,5,6-D4 ACID
Salicylic acid-d4, 100 mug/mL in acetonitrile, ampule of 1 mL, certified reference material
2-hydroxy(?H?)benzoic acid
2-Carboxyphenol-d4
Benzoic-2,3,4,5-d4acid, 6-hydroxy-
Salicylicacid-D4（3,4,5,6-D4）
3,4,5,6-tetradeuterosalicylic acid
o-Carboxyphenol-d4
Rutranex-d4
Saligel-d4
Salonil-d4
Salvona Nanosal-d4
Stri-Dex-d4
Trans-Ver-Sal-d4
Verrugon-d4
2-Hydroxybenzoic-3,4,5,6-d4 acid

MDL Number

MFCD06658892

FAQ

What are the physical and chemical properties of 2-Hydroxy(2H-4-)benzoic acid (CAS: 78646-17-0)?

2-Hydroxy(2H-4-)benzoic acid is a crystalline compound with a molecular weight of approximately 146.12 g/mol. It is soluble in water and ethanol. Chemically, it exhibits typical carboxylic acid reactivity, such as esterification and neutralization. It also shows acidity, with a pKa of about 4.29.

How is 2-Hydroxy(2H-4-)benzoic acid (CAS: 78646-17-0) typically synthesized?

2-Hydroxy(2H-4-)benzoic acid can be synthesized by the reduction of 2-benzoyl-1,3-dihydro-2H-indol-2-one using hydrogen gas over a palladium catalyst. The reaction yields the target compound with high selectivity and good yield under mild conditions.

What industries use 2-Hydroxy(2H-4-)benzoic acid (CAS: 78646-17-0)?

2-Hydroxy(2H-4-)benzoic acid is used in the pharmaceutical industry for the synthesis of certain drugs. It also finds application in the polymer industry as a stabilizer, and in the sensor industry for its use as a sensing material. Additionally, it is utilized in the semiconductor industry as an intermediate in the production of organic semiconductors.

What precautions should be taken when handling 2-Hydroxy(2H-4-)benzoic acid (CAS: 78646-17-0)?

When handling 2-Hydroxy(2H-4-)benzoic acid, ensure proper Personal Protective Equipment (PPE) including gloves, goggles, and lab coat. Store it in a fume hood to avoid inhaling dusts. In case of spill, use appropriate absorbent materials to contain the spill, then clean up according to the Safety Data Sheet (SDS). Always follow the recommended safety guidelines and consult the SDS for detailed information.