ChemicalBook--->CAS DataBase List--->570-22-9

570-22-9

570-22-9 Structure

570-22-9 Structure
IdentificationMore
[Name]

4,5-Imidazoledicarboxylic acid
[CAS]

570-22-9
[Synonyms]

1H-IMIDAZOLE-4,5-DICARBOXYLIC ACID
4,5-IMIDAZOLEDICARBOXYLIC ACID
AKOS AUF2071
AKOS BBS-00002898
IFLAB-BB F1918-0019
IMIDAZOLE-4,5-DICARBOXYLIC ACID
RARECHEM AL BO 1102
,-Imidazoledicarboxylicacid
4,5-Dicarboxyimidazole
4,5-Imidazoledicarboxylate
alpha,beta-Imidazoledicarboxylic acid
alpha-beta-imidazolecarboxylicacid
Glycoxalinedicarboxylic acid
glycoxalinedicarboxylicacid
Glyoxalinedicarboxylic acid
H-Imidazole-4,5-dicarboxylicacid
4,5-Imidazoledicarboxylic acid, 99℉
4,5-Imidazoledicarboxylicacid,97%
1H-Imidazole-4,5-dicarboxylic
4,5-Imidazoledicarboxylic acid, HPLC 99%
[EINECS(EC#)]

209-327-5
[Molecular Formula]

C5H4N2O4
[MDL Number]

MFCD00005200
[Molecular Weight]

156.1
[MOL File]

570-22-9.mol
Chemical PropertiesBack Directory
[Appearance]

light yellow to yellow-brown fine cryst. powder
[Melting point ]

280-285 °C (dec.) (lit.)
[Boiling point ]

280.29°C (rough estimate)
[bulk density]

650-660kg/m3
[density ]

1,749 g/cm3
[refractive index ]

1.4800 (estimate)
[storage temp. ]

Store below +30°C.
[solubility ]

0.5g/l
[form ]

Fine Crystalline Powder
[pka]

3.59±0.10(Predicted)
[color ]

Light yellow to yellow-brown
[PH]

3.7 (0.5g/l, H2O, 20℃)
[Water Solubility ]

0.5g/L(20 ºC)
[BRN ]

147774
[InChIKey]

ZEVWQFWTGHFIDH-UHFFFAOYSA-N
[CAS DataBase Reference]

570-22-9(CAS DataBase Reference)
[NIST Chemistry Reference]

4,5-Imidazole dicarboxylic acid(570-22-9)
[EPA Substance Registry System]

570-22-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[RTECS ]

NI4760000
[Autoignition Temperature]

430°C
[TSCA ]

Yes
[HS Code ]

29332990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrogen peroxide-->Triethyl orthoformate-->o-Phenylenediamine-->Anisole-->Diaminomaleonitrile-->Benzimidazole-->Cyclohept[d]imidazol-6(1H)-imine-->2-ETHYL-1H-IMIDAZOLE-4,5-DICARBOXYLICACID-->1H-Imidazole-4,5-dicarboxylic acid, 2-phenyl--->2-Phenylbenzimidazole-->2-Propylbenzimidazole-->4,5-Dicyanoimidazole-->2-methyl-1H-imidazole-4,5-dicarboxylic acid-->2-Methylbenzimidazole-->Hexamethylenetetramine
[Preparation Products]

Imidazole-->1H-Imidazole-4-carbaldehyde-->1H-Imidazole-4-carboxylic acid-->1H-Imidazole-4,5-dicarbonyldichloride(9CI)
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4,5-Imidazoledicarboxylic acid(570-22-9).msds
Hazard InformationBack Directory
[Chemical Properties]

light yellow to yellow-brown fine cryst. powder
[Uses]

4,5-Imidazoledicarboxylic acid is an imidazole used for research purposes.
[Uses]

4,5-Imidazoledicarboxylic Acid is an intermediate used in the synthesis of N-substituted cyclic imides with anticancer and anti-inflammatory activities. it is also used to prepare imidazolecarboxamide derivatives with cannabinoid CB2 receptor antagonistic activities.
[Synthesis]

2-Propylbenzimidazole

5465-29-2

4,5-Imidazoledicarboxylic acid

570-22-9

General procedure: 800 ml of concentrated sulfuric acid (80% concentration) was slowly added to 200 ml of water to form a reaction system. To this system was added 50.0 g of 2-propylbenzimidazole, followed by the slow dropwise addition of 30 mL of hydrogen peroxide to 500 mL of the reaction mixture. The reaction is exothermic and causes reflux, and the rate of titration needs to be controlled to maintain the reaction solution at a boil. After completion of the reaction, stirring was continued for 3 hours. Subsequently, 1000 mL of water was added to the reaction mixture and cooled to room temperature. The mixture was stirred for 3 hours at 0 to 5°C to promote precipitation of solids. The solid was collected by filtration and washed sequentially with water and 5% aqueous sodium sulfite solution (100 mL). The resulting solid was purified by column chromatography using water: methanol = 2:1 as eluent to give the final imidazole-4,5-dicarboxylic acid 3-lg with a melting point of 267.3 °C (simultaneous decomposition).

[References]

[1] Patent: CN104262260, 2016, B. Location in patent: Paragraph 0093-0095
Spectrum DetailBack Directory
[Spectrum Detail]

4,5-Imidazoledicarboxylic acid(570-22-9)MS
4,5-Imidazoledicarboxylic acid(570-22-9)1HNMR
4,5-Imidazoledicarboxylic acid(570-22-9)IR1
4,5-Imidazoledicarboxylic acid(570-22-9)IR2
4,5-Imidazoledicarboxylic acid(570-22-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4,5-Imidazoledicarboxylic acid, 99%(570-22-9)
[Alfa Aesar]

4,5-Imidazoledicarboxylic acid, 97%(570-22-9)
[Sigma Aldrich]

570-22-9(sigmaaldrich)
[TCI AMERICA]

1H-Imidazole-4,5-dicarboxylic Acid,>96.0%(T)(570-22-9)
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