1H-Imidazole-4,5-dicarboxylic acid

HCID 68442
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Basic information

CAS
570-22-9
Standard SMILES
O=C(O)c1nc[nH]c1C(=O)O
InChIKey
ZEVWQFWTGHFIDH-UHFFFAOYSA-N
Molecular formula
C5H4N2O4
Average molar mass
156.1 g/mol
Monoisotopic mass
156.01710661

Names & identifiers

Preferred name
1H-Imidazole-4,5-dicarboxylic acid
IUPAC
1H-imidazole-4,5-dicarboxylic acid
English name
4,5-Imidazoledicarboxylic acid
Molecular formula
C5H4N2O4
Molecular weight
156.1

Names & synonyms

1H-Imidazole-4,5-dicarboxylic acidImidazole-4,5-dicarboxylic acidGlyoxalinedicarboxylic acid4,5-Imidazoledicarboxylate4,5-DicarboxyimidazoleGlycoxalinedicarboxylic acidNSC 9236alpha,beta-Imidazoledicarboxylic acidEINECS 209-327-5BRN 0147774alpha-beta-Imidazolecarboxylic acidDP9E7PEL2M
Show more names
edicarboxyLAKOS AUF20714,5-ImidazoLAKOS BBS-00002898IFLAB-BB F1918-0019RARECHEM AL BO 11024,5-Dicarboxymidazole
DTXSID6060349AI3-52411NSC-9236.alpha.,.beta.-Imidazoledicarboxylic acid4,5-imidazole dicarboxylic acid5-25-05-00344 (Beilstein Handbook Reference)4,5DicarboxyimidazoleRefChem:79793

Database identifiers

CAS
570-22-9
PubChem CID
68442
DTXSID
DTXSID6060349
UNII
DP9E7PEL2M
EC Number
209-327-5
Nikkaji
J6.533A

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
103 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
11

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Imidazoles
Physical DescriptionOff-white powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
280 · 280-285 °C (dec.) (lit.)
Boiling point
280.29 °C · 280.29°C (rough estimate)
bulk density
650 · 650-660kg/m3
Density
1 · 1,749 g/cm3
refractive index
1.48 · 1.4800 (estimate)
storage temp.
30 °C · Store below +30°C.

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: 1H-Imidazole-4,5-dicarboxylic acid

1H-Imidazole-4,5-dicarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Imidazole.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
NI4760000
hs_code
29332990
risk_code
36/37/38

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1H-Imidazole-4,5-dicarboxylic acid: ACTIVE
Applications · 2 items

Uses4,5-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.

Uses4,5-Imidazoledicarboxylic acid is an imidazole used for research purposes.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

6 records
New reaction record

Compound notes

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CAS 570-22-9 1H-Imidazole-4,5-dicarboxylic acid (HCID 68442)｜Huagongshe