Phenylmalonic acid

Basic Information

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CAS Number

2613-89-0

Molecular Formula

C9H8O4

Molecular Weight

180.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

153-155 ºC

Boiling Point

272.96°C (rough estimate)

Flash Point

187.5°C

Refractive Index

1.4500 (estimate)

SMILES

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

InChI

InChI=1S/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13)

InChIKey

WWYDYZMNFQIYPT-UHFFFAOYSA-N

LogP

0.9394000000000001

Topological Polar Surface Area

74.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

192

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Propanedioic acid, 2-phenyl-
Phenylpropanedioc acid
1o4p
DTXSID5062552
NSC-41697
W-107197
DB04080
Z277558324
RU-78191
2613-89-0
Toluene-.alpha.,.alpha.-dicarboxylic acid
2-Phenylmalonic acid
2-phenylpropanedioic acid
NSC41697
NSC 27164
CHEMBL78794
Toluene-alpha,alpha-dicarboxylic acid
NSC27164
SY015145
Phenylmalonic acid, 98%
WWYDYZMNFQIYPT-UHFFFAOYSA-
alpha-Carboxyphenylacetic acid
P0987
AKOS005206862
Phenylmalonicacid
phenylmalonate
phenylpropanedioic acid
BDBM14676
AS-12447
Q27094928
InChI=1/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13)

MDL Number

MFCD00004253

Customs Code

2917399090

FAQ

What are the physical and chemical properties of Phenylmalonic acid (CAS: 2613-89-0)?

Phenylmalonic acid (CAS: 2613-89-0) is a white crystalline solid with a molecular weight of approximately 148.16 g/mol. It is sparingly soluble in water and soluble in many organic solvents. Chemically, it is an acid and can react with bases to form salts. It is also susceptible to hydrolysis under basic conditions and can undergo esterification and amide formation.

How is Phenylmalonic acid (CAS: 2613-89-0) typically synthesized?

Phenylmalonic acid (CAS: 2613-89-0) can be synthesized through various methods, including hydration of phenylacetaldehyde, decarboxylation of phenyl malonate, or by the Wittig reaction of phenyl methylene phosphonate. These processes often involve the use of catalysts and solvents, with high selectivity and yield being crucial for industrial applications.

What industries use Phenylmalonic acid (CAS: 2613-89-0)?

Phenylmalonic acid (CAS: 2613-89-0) is used in a variety of industries. In pharmaceuticals, it serves as a precursor in the synthesis of certain drugs. In the polymer industry, it is used as a monomer for the production of copolymers. Additionally, it finds applications in the development of sensors, semiconductors, and as an analytical tool in analytical chemistry.

What precautions should be taken when handling Phenylmalonic acid (CAS: 2613-89-0)?

When handling Phenylmalonic acid (CAS: 2613-89-0), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be done in a well-ventilated area or a fume hood. In case of a spill, immediately clean up the area using appropriate spill kits and follow proper waste disposal procedures. Refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.