1H-Imidazole-5-carboxylicacid, 2-phenyl- supplier

Name
2-PHENYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID HYDRATE
EINECS 278-701-8
CAS No. 77498-98-7
Article Data7
CAS DataBase
Density 1.355g/cm³
Solubility
Melting Point 217 °C
Formula C₁₀H₁₀N₂O₃
Boiling Point 495.1 °C at 760 mmHg
Molecular Weight 188.186
Flash Point 253.2 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms 1H-Imidazole-4-carboxylicacid, 2-phenyl- (9CI);2-Phenyl-1H-imidazole-4-carboxylic acid;2-Phenyl-1H-imidazole-5-carboxylic acid;2-Phenylimidazole-4-carboxylic acid;
PSA 75.21000
LogP 1.71060

1H-Imidazole-5-carboxylicacid, 2-phenyl- Specification

The 1H-Imidazole-5-carboxylicacid, 2-phenyl- is an organic compound with the formula C₁₀H₁₀N₂O₃. The IUPAC name of this chemical is 2-phenyl-1H-imidazole-5-carboxylic acid hydrate. With the CAS registry number 77498-98-7, it is also named as 4-Carboxy-2-phenyl-1H-imidazole hydrate. The product's categories are Carboxylic Acids; Imidazoles & Benzimidazoles; Carboxylic Acids; Imidazoles & Benzimidazoles.

Physical properties about 1H-Imidazole-5-carboxylicacid, 2-phenyl- are: (1)ACD/LogP: 1.56; (2)ACD/LogD (pH 5.5): -0.75; (3)ACD/LogD (pH 7.4): -1.26; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 44.12 Å²; (12)Flash Point: 253.2 °C; (13)Enthalpy of Vaporization: 80.31 kJ/mol; (14)Boiling Point: 495.1 °C at 760 mmHg; (15)Vapour Pressure: 1.28E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2cnc(c1ccccc1)n2.O
(2)InChI: InChI=1/C10H8N2O2.H2O/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7;/h1-6H,(H,11,12)(H,13,14);1H2
(3)InChIKey: YIVKWERKOGOQBV-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C10H8N2O2.H2O/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7;/h1-6H,(H,11,12)(H,13,14);1H2
(5)Std. InChIKey: YIVKWERKOGOQBV-UHFFFAOYSA-N

Product Name

2-PHENYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID HYDRATE

1H-Imidazole-5-carboxylicacid, 2-phenyl- Specification

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