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54553-90-1

Basic Information
CAS No.: 54553-90-1
Name: 2-Phenyl-2-imidazoline pyromellitate
Molecular Structure:
Molecular Structure of 54553-90-1 (2-Phenyl-2-imidazoline pyromellitate)
Formula: C10H6O8.C9H10N2
Molecular Weight: 400.34
Synonyms: Acetomer 68;benzene-1,2,4,5-tetracarboxylic acid, compound with 4,5-dihydro-2-phenyl-1H-imidazole (1:1);1,2,4,5-Benzenetetracarboxylic acid, mixed with 4,5-dihydro-2-phenyl-1H-imidazole (1:1);Mono-Salt of 1,2,4,5-benzenetetracarboxylic acid and 4,5-dihydro-2-phenyl-1H-imidazole;
EINECS: 259-224-4
Density: 1.54[at 20℃]
Boiling Point: 585.8 °C at 760 mmHg
Flash Point: 322.1 °C
Solubility: 3g/L at 20℃
Hazard Symbols: HarmfulXn
Risk Codes: R22;R51/53   
PSA: 173.59000
LogP: 1.28020
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Chemistry

Molecular Structure Pyromellitic acid 2-phenyl-2-imidazoline salt (1:1) (CAS NO.54553-90-1):


Molecular Formula: C19H16N2O8
Molecular Weight: 400.34g/mol
Mol File: 54553-90-1.mol
EINECS: 259-224-4
Boiling point: 585.8 °C at 760 mmHg
Flash Point: 322.1 °C
Enthalpy of Vaporization: 92.03 kJ/mol
Vapour Pressure: 1.45E-14 mmHg at 25 °C
H-Bond Donor: 5
H-Bond Acceptor: 10
Structure Descriptors of Pyromellitic acid 2-phenyl-2-imidazoline salt (1:1) (CAS NO.54553-90-1):
IUPAC Name: Benzene-1,2,4,5-tetracarboxylic acid; 2-phenyl-4,5-dihydro-1H-imidazole 
Canonical SMILES: C1CN=C(N1)C2=CC=CC=C2.C1=C(C(=CC(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O
InChI: InChI=1S/C10H6O8.C9H10N2/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;1-2-4-8(5-3-1)9-10-6-7-11-9/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);1-5H,6-7H2,(H,10,11)  
InChIKey: TZBVXASHYYFGHZ-UHFFFAOYSA-N

Safety Profile

Safety Information of Pyromellitic acid 2-phenyl-2-imidazoline salt (1:1) (CAS NO.54553-90-1):
Hazard Codes: XnHarmful
Risk Statements: 22-51/53  
R22:Harmful if swallowed. 
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.

Specification

 Pyromellitic acid 2-phenyl-2-imidazoline salt (1:1) , its CAS NO. is 54553-90-1, the synonyms are EINECS 259-224-4 ; Pyromellitic acid, mono(2-phenyl-2-imidazoline) salt ; 1,2,4,5-Benzenetetracarboxylic acid, compd. with 4,5-dihydro-2-phenyl-1H-imidazole (1:1) ; Benzene-1,2,4,5-tetracarboxylic acid, compound with 4,5-dihydro-2-phenyl-1H-imidazole (1:1) .