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| CAS No.: | 6410-32-8 |
|---|---|
| Name: | Pigment Red 12 |
| Molecular Structure: | |
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| Formula: | C25H20N4O4 |
| Molecular Weight: | 440.45 |
| Synonyms: | 2-Naphthalenecarboxamide,3-hydroxy-4-[(2-methyl-4-nitrophenyl)azo]-N-(2-methylphenyl)- (9CI);C.I.Pigment Red 12 (7CI,8CI);Bordeau K;Bordeaux K;C.I. 12385;Confast Bordeaux2R;Eljon Fast Bordeaux 2R;Fast Bordeaux F 2R;Irgalite Bordeaux F 2R;KromonBordeaux 2R;Monolite Fast Bordeaux 2R;Monolite Fast Bordeaux 2RA;NaphtholBordeaux FRR;Permanent Bordeaux F 2R;Permanent Bordeaux FRR;Pigment Bordeaux2R;Pigment Bordeaux F 2R;Pigment Bordeaux K;Pigment Red 12;Recolite FastBordeaux 2R;Sanyo Toluidine Maroon Light No. 1;Segnale Light Bordeaux F 2R;Sico Bordeaux P 2;Siloton Bordeaux F 2R;Syton Fast Bordeaux F 2R; |
| EINECS: | 229-102-5 |
| Density: | 1.32g/cm3 |
| Boiling Point: | 632.7 °C at 760 mmHg |
| Flash Point: | 336.5 °C |
| Solubility: | 4.6μg/L at 23℃ |
| Risk Codes: | R36/37/38 |
| PSA: | 119.87000 |
| LogP: | 7.33430 |
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Specification
The Pigment Red 12 with the cas number 6410-32-8 is also called Confast Bordeaux2R. The systematic name is 3-hydroxy-4-(2-methyl-4-nitro-phenyl)azo-N-(o-tolyl)naphthalene-2-carboxamide. Its EINECS registry number is 229-102-5. The molecular formula of this chemical is C25H20N4O4. Its product category is Organics.
The properties of the chemical are: (1)ACD/LogP: 7.39; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.39; (4)ACD/LogD (pH 7.4): 7.39 ; (5)#H bond acceptors: 8; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 119.87 Å2; (9)Index of Refraction: 1.665; (10)Molar Refractivity: 123.72 cm3; (11)Molar Volume: 332.9 cm3; (12)Polarizability: 49.04×10-24cm3; (13)Surface Tension: 53.7 dyne/cm; (14)Enthalpy of Vaporization: 96.96 kJ/mol; (15)Vapour Pressure: 1.33×10-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(cc2C)[N+]([O-])=O)c3O
(2)InChI: InChI=1/C25H20N4O4/c1-15-7-3-6-10-21(15)26-25(31)20-14-17-8-4-5-9-19(17)23(24(20)30)28-27-22-12-11-18(29(32)33)13-16(22)2/h3-14,30H,1-2H3,(H,26,31)
(3)InChIKey: KDLDNQQRGJAGIS-UHFFFAOYAR