ChemicalBook--->CAS DataBase List--->2613-89-0

2613-89-0

2613-89-0 Structure

2613-89-0 Structure
IdentificationMore
[Name]

Phenylmalonic acid
[CAS]

2613-89-0
[Synonyms]

PHENYLMALONIC ACID
PHENYLPROPANEDIOC ACID
RARECHEM AL BE 1370
phenyl-propanedioicaci
1-Hydroxy-4-(P-Tolyamino)Anthraquinone
alpha-Carboxyphenylaceticacid
Phenylpropanedionicacid
PHENYLPROPANEDIOIC ACID
Phenylmalonic
PROPANEDIOICACID,PHENYL-
Phenylmalonic acid, 97+%
2-Phenylmalonic acid
2-Phenylpropanedioic acid
Toluene-a,a-dicarboxylic acid
[EINECS(EC#)]

220-044-6
[Molecular Formula]

C9H8O4
[MDL Number]

MFCD00004253
[Molecular Weight]

180.16
[MOL File]

2613-89-0.mol
Chemical PropertiesBack Directory
[Appearance]

white to off-white crystalline powder
[Melting point ]

149-152 °C (dec.)(lit.)
[Boiling point ]

272.96°C (rough estimate)
[density ]

1.2933 (rough estimate)
[refractive index ]

1.4500 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

pK1:2.58;pK2:5.03 (25°C)
[color ]

White to Almost white
[Water Solubility ]

soluble
[BRN ]

2048729
[InChIKey]

WWYDYZMNFQIYPT-UHFFFAOYSA-N
[CAS DataBase Reference]

2613-89-0(CAS DataBase Reference)
[EPA Substance Registry System]

2613-89-0(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R41:Risk of serious damage to eyes.
R22:Harmful if swallowed.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[TSCA ]

TSCA listed
[HS Code ]

2917399590
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Malonic acid disodium salt-->Film evaporator-->CAUSTIC SODA IN PEARL-->Phenylacetic acid-->Diethyl phenylmalonate-->Toluene
[Preparation Products]

2-Phenyl-1,3-propanediol-->(Difluoromethyl)benzene-->phenyl hydrogen phenylmalonate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Phenylpropanedioc acid(2613-89-0).msds
Hazard InformationBack Directory
[Chemical Properties]

white to off-white crystalline powder
[Uses]

Phenylmalonic Acid is used as the starting material in the synthesis of Sodium Indanylcarbinicillin (S635000); a compound which has been shown to reduce blood pressure in mammals and also has been used as a β-lactam antibiotic.
Spectrum DetailBack Directory
[Spectrum Detail]

Phenylmalonic acid(2613-89-0)MS
Phenylmalonic acid(2613-89-0)1HNMR
Phenylmalonic acid(2613-89-0)13CNMR
Phenylmalonic acid(2613-89-0)IR1
Phenylmalonic acid(2613-89-0)IR2
Phenylmalonic acid(2613-89-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Phenylmalonic acid, 99%(2613-89-0)
[Alfa Aesar]

Phenylmalonic acid, 97+%(2613-89-0)
[Sigma Aldrich]

2613-89-0(sigmaaldrich)
[TCI AMERICA]

Phenylmalonic Acid,>95.0%(T)(2613-89-0)
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