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Name
pigment orange 62
- EINECS 258-221-5
- CAS No. 52846-56-7
- Article Data1
- CAS DataBase
- Density 1.58 g/cm3
- Solubility 11.4μg/L at 24℃
- Melting Point
- Formula C17H14N6O5
- Boiling Point 526.6 °C at 760 mmHg
- Molecular Weight 382.335
- Flash Point 272.3 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Butanamide,N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[(4-nitrophenyl)azo]-3-oxo- (9CI);Pigment orange 62;
- PSA 165.36000
- LogP 3.04060
Pigment Orange 62 Specification
The Butanamide, N-(2, 3-dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[2-(4-nitrophenyl)diazenyl]-3-oxo-, with the CAS registry number 52846-56-7, is also known as Pigment orange 62. Its EINECS registry number is 258-221-5. This chemical's molecular formula is C17H14N6O5 and molecular weight is 382.33026. What's more, its IUPAC name is 2-[(4-Nitrophenyl)diazenyl]-3-oxo-N-(2-oxo-1, 3-dihydrobenzimidazol-5-yl)butanamide.
Physical properties about Butanamide, N-(2, 3-dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[2-(4-nitrophenyl)diazenyl]-3-oxo- are: (1)ACD/LogP: 3.51; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.16; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 122.08; (6)ACD/BCF (pH 7.4): 3.64; (7)ACD/KOC (pH 5.5): 862.55; (8)ACD/KOC (pH 7.4): 25.73; (9)#H bond acceptors: 11; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 131.47 Å2; (13)Index of Refraction: 1.735; (14)Molar Refractivity: 96.54 cm3; (15)Molar Volume: 240.4 cm3; (16)Polarizability: 38.27×10-24 cm3; (17)Surface Tension: 71.8 dyne/cm; (18)Density: 1.58 g/cm3; (19)Flash Point: 272.3 °C; (20)Enthalpy of Vaporization: 80.1 kJ/mol; (21)Boiling Point: 526.6 °C at 760 mmHg; (22)Vapour Pressure: 3.53E-11 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc(cc1)N=NC(C(C)=O)C(=O)Nc2ccc3NC(=O)Nc3c2
(2) InChI: InChI=1/C17H14N6O5/c1-9(24)15(22-21-10-2-5-12(6-3-10)23(27)28)16(25)18-11-4-7-13-14(8-11)20-17(26)19-13/h2-8,15H,1H3,(H,18,25)(H2,19,20,26)
(3) InChIKey: HXXOOSWHCMYQQV-UHFFFAOYAG
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