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12225-06-8

Basic Information
CAS No.: 12225-06-8
Name: Pigment Red 176
Article Data: 2
Molecular Structure:
Molecular Structure of 12225-06-8 (Pigment Red 176)
Formula: C32H24N6O5
Molecular Weight: 572.58
Synonyms: C.I. Pigment Red 176 (8CI);p-Anisanilide,3-[[2-hydroxy-3-[(2-oxo-5-benzimidazolinyl)carbamoyl]-1-naphthyl]azo]- (7CI);Novoperm Carmine HF 3C;PV Carmine HF 3C;Permanent Carmine HF3C;
EINECS: 235-425-2
Density: 1.43 g/cm3
Boiling Point: 667.2 °C at 760 mmHg
Flash Point: 357.3 °C
Solubility: 1.9μg/L at 24℃
Appearance: carmine powder
PSA: 161.03000
LogP: 6.78960
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    Pigment Red 176 CAS NO. CAS NO.12225-06-8

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  • Pigment Red 176 CAS NO.12225-06-8  CAS NO.12225-06-8

  • Casno:

    12225-06-8

    Pigment Red 176 CAS NO.12225-06-8 CAS NO.12225-06-8

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Specification

The 2-Naphthalenecarboxamide,N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[2-[2-methoxy-5-[(phenylamino)carbonyl]phenyl]diazenyl]- is an organic compound with the formula C32H24N6O5. The systematic name of this chemical is 3-hydroxy-4-[2-methoxy-5-(phenylcarbamoyl)phenyl]azo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)naphthalene-2-carboxamide. With the CAS registry number 12225-06-8, it is also named as N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]naphthalene-2-carboxamide. The product's category is Organics.

Physical properties about 2-Naphthalenecarboxamide,N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[2-[2-methoxy-5-[(phenylamino)carbonyl]phenyl]diazenyl]- are: (1)ACD/LogP: 6.96; (2)# of Rule of 5 Violations: 4; (3)ACD/LogD (pH 5.5): 6.95; (4)ACD/LogD (pH 7.4): 6.95; (5)#H bond acceptors: 11; (6)#H bond donors: 5; (7)#Freely Rotating Bonds: 8; (8)Polar Surface Area: 153.51 Å2; (9)Index of Refraction: 1.721; (10)Molar Refractivity: 157.67 cm3; (11)Molar Volume: 398.6 cm3; (12)Polarizability: 62.5×10-24cm3; (13)Surface Tension: 61 dyne/cm; (14)Density: 1.43 g/cm3; (15)Flash Point: 357.3 °C; (16)Enthalpy of Vaporization: 101.63 kJ/mol; (17)Boiling Point: 667.2 °C at 760 mmHg; (18)Vapour Pressure: 2.05E-18 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccccc1)c6cc(N=Nc2c5ccccc5cc(c2O)C(=O)Nc3ccc4NC(=O)Nc4c3)c(OC)cc6
(2)InChI: InChI=1/C32H24N6O5/c1-43-27-14-11-19(30(40)33-20-8-3-2-4-9-20)16-26(27)37-38-28-22-10-6-5-7-18(22)15-23(29(28)39)31(41)34-21-12-13-24-25(17-21)36-32(42)35-24/h2-17,39H,1H3,(H,33,40)(H,34,41)(H2,35,36,42)
(3)InChIKey: LOGJDHWBDGLMNO-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C32H24N6O5/c1-43-27-14-11-19(30(40)33-20-8-3-2-4-9-20)16-26(27)37-38-28-22-10-6-5-7-18(22)15-23(29(28)39)31(41)34-21-12-13-24-25(17-21)36-32(42)35-24/h2-17,39H,1H3,(H,33,40)(H,34,41)(H2,35,36,42)
(5)Std. InChIKey: LOGJDHWBDGLMNO-UHFFFAOYSA-N