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CAS No.: | 12236-62-3 |
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Name: | Pigment Orange 36 |
Molecular Structure: | |
Formula: | C17H13ClN6O5 |
Molecular Weight: | 416.78 |
Synonyms: | Acetoacetamide,2-[(4-chloro-2-nitrophenyl)azo]-N-(2-oxo-5-benzimidazolinyl)- (7CI);Butanamide,2-[(4-chloro-2-nitrophenyl)azo]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxo-(9CI);C.I. Pigment Orange 36 (8CI);Chromofine Orange 3700L;Kenalake OrangeHP-RLO;Lionogen Orange R;Lionogen Orange R-F;NovopermOrange HL;Novoperm Orange HL 70;Novoperm Orange HL 70NF;Novoperm Orange HL 71;PO 36;PV Orange HL;Permanent Orange HL;Sunfast 271-9136;Sunfast Orange 36;Symuler Fast Orange 4183H; |
EINECS: | 235-462-4 |
Density: | 1.66 g/cm3 |
Boiling Point: | 544.1 °C at 760 mmHg |
Flash Point: | 282.8 °C |
Appearance: | Orange to red, odorless powder. |
PSA: | 165.36000 |
LogP: | 3.69400 |
This chemical is called C.I. Pigment orange, and its systematic name is Butanamide, 2-(2-(4-chloro-2-nitrophenyl)diazenyl)-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxo-. With the molecular formula of C17H13ClN6O5, its product category is Organics. The CAS registry number of this chemical is 12236-62-3.
Other characteristics of the C.I. Pigment orange can be summarised as followings: (1)ACD/LogP: 4.60; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.61; (4)ACD/LogD (pH 7.4): 2.26; (5)#H bond acceptors: 11; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 157.84 Å2; (9)Index of Refraction: 1.744; (10)Molar Refractivity: 101.14 cm3; (11)Molar Volume: 249.7 cm3; (12)Polarizability: 40.09×10-24cm3; (13)Surface Tension: 72.5 dyne/cm; (14)Density: 1.66 g/cm3; (15)Flash Point: 282.8 °C; (16)Enthalpy of Vaporization: 82.26 kJ/mol; (17)Boiling Point: 544.1 °C at 760 mmHg; (18)Vapour Pressure: 6.75E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.InChI: InChI=1/C17H13ClN6O5/c1-8(25)15(23-22-12-4-2-9(18)6-14(12)24(28)29)16(26)19-10-3-5-11-13(7-10)21-17(27)20-11/h2-7,15H,1H3,(H,19,26)(H2,20,21,27)/b23-22+
2.Smiles: c12c(ccc(c1)NC([C@@H](\N=N\c1c(cc(Cl)cc1)[N+](=O)[O-])C(C)=O)=O)[nH]c([nH]2)=O