1H-Pyrazole-3-carboxylicacid, 1-(3-aminophenyl)-4,5-dihydro-5-oxo- supplier

Name
1-(3-aminophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid
EINECS 201-892-6
CAS No. 89-26-9
Density 1.55 g/cm³
Solubility
Melting Point
Formula C₁₀H₉N₃O₃
Boiling Point 477.3 °C at 760 mmHg
Molecular Weight 219.19676
Flash Point 242.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Pyrazoline-3-carboxylicacid, 1-(m-aminophenyl)-5-oxo- (7CI,8CI);1-(m-Aminophenyl)-3-carboxy-5-pyrazolone;1-(m-Aminophenyl)-5-oxo-2-pyrazoline-3-carboxylic acid;1-(m-Aminophenyl)-5-pyrazolone-3-carboxylic acid;NSC 4987;
PSA 95.99000
LogP 0.52790

1H-Pyrazole-3-carboxylicacid, 1-(3-aminophenyl)-4,5-dihydro-5-oxo- Specification

The 1H-Pyrazole-3-carboxylicacid, 1-(3-aminophenyl)-4,5-dihydro-5-oxo-, with CAS registry number 89-26-9, has the systematic name of 1-(3-aminophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid. And the chemical formula of this chemical is C₁₀H₉N₃O₃. What's more, its EINECS is 201-892-6.

Physical properties of 1H-Pyrazole-3-carboxylicacid, 1-(3-aminophenyl)-4,5-dihydro-5-oxo-: (1)ACD/LogP: -1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.61; (4)ACD/LogD (pH 7.4): -5.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 62.21 Å²; (13)Index of Refraction: 1.71; (14)Molar Refractivity: 55.01 cm³; (15)Molar Volume: 140.7 cm³; (16)Polarizability: 21.8×10^-24cm³; (17)Surface Tension: 71.2 dyne/cm; (18)Density: 1.55 g/cm³; (19)Flash Point: 242.4 °C; (20)Enthalpy of Vaporization: 78.07 kJ/mol; (21)Boiling Point: 477.3 °C at 760 mmHg; (22)Vapour Pressure: 6.46E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)/C2=N/N(c1cc(ccc1)N)C(=O)C2
(2)InChI: InChI=1/C10H9N3O3/c11-6-2-1-3-7(4-6)13-9(14)5-8(12-13)10(15)16/h1-4H,5,11H2,(H,15,16)
(3)InChIKey: SWHUGXBRBHHKFB-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C10H9N3O3/c11-6-2-1-3-7(4-6)13-9(14)5-8(12-13)10(15)16/h1-4H,5,11H2,(H,15,16)
(5)Std. InChIKey: SWHUGXBRBHHKFB-UHFFFAOYSA-N

Product Name

1-(3-aminophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid

1H-Pyrazole-3-carboxylicacid, 1-(3-aminophenyl)-4,5-dihydro-5-oxo- Specification

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