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Basic Information
CAS No.: 35636-63-6
Name: Pigment Yellow 175
Article Data: 1
Molecular Structure:
Molecular Structure of 35636-63-6 (Pigment Yellow 175)
Formula: C21H19N5O7
Molecular Weight: 453.411
Synonyms: 1,4-Benzenedicarboxylicacid,2-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]-,dimethyl ester (9CI);C.I. Pigment Yellow 175;Hostaperm Yellow H 6G;PermanentYellow GRX 83;Pigment Yellow 175;
EINECS: 252-650-1
Density: 1.48 g/cm3
Boiling Point: 596.3 °C at 760 mmHg
Flash Point: 314.4 °C
PSA: 172.14000
LogP: 2.18240
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Specification

The IUPAC name of Pigment Yellow 175 is Ddimethyl2-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzene-1,4-dicarboxylate. With the CAS registry number 35636-63-6, it is also named as 2-((2,5-Dicarbomethoxyphenyl)azo)-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxo-butanamide. The product's category is organics, and other registry number is 63661-03-0. In addition, its molecular formula is C21H19N5O7 and its molecular weight is 453.4. 

The other characteristics of Pigment Yellow 175 can be summarized as: (1)EINECS: 252-650-1; (2)ACD/LogP: 4.25; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 4.15; (5)ACD/LogD (pH 7.4): 2.96; (6)ACD/BCF (pH 5.5): 799.58; (7)ACD/BCF (pH 7.4): 51.77; (8)ACD/KOC (pH 5.5): 3907.21; (9)ACD/KOC (pH 7.4): 252.97; (10)H bond acceptors: 12; (11)H bond donors: 3; (12)Freely Rotating Bonds: 9; (13)Polar Surface Area: 138.25 Å2; (14)Index of Refraction: 1.665; (15)Molar Refractivity: 113.43 cm3; (16)Molar Volume: 305 cm3; (17)Polarizability: 44.96×10-24cm3; (18)Surface Tension: 58.4 dyne/cm; (19)Density: 1.48 g/cm3; (20)Flash Point: 314.4 °C; (21)Enthalpy of Vaporization: 88.84 kJ/mol; (22)Boiling Point: 596.3 °C at 760 mmHg; (23)Vapour Pressure: 3.48E-14 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(OC)c3cc(/N=N/C(C(=O)C)C(=O)Nc1ccc2c(c1)NC(=O)N2)c(C(=O)OC)cc3
(2)InChI:InChI=1/C21H19N5O7/c1-10(27)17(18(28)22-12-5-7-14-16(9-12)24-21(31)23-14)26-25-15-8-11(19(29)32-2)4-6-13(15)20(30)33-3/h4-9,17H,1-3H3,(H,22,28)(H2,23,24,31)/b26-25+
(3)InChIKey:KEZJTZQNDCLRDB-OCEACIFDBO
(4)Std. InChI:InChI=1S/C21H19N5O7/c1-10(27)17(18(28)22-12-5-7-14-16(9-12)24-21(31)23-14)26-25-15-8-11(19(29)32-2)4-6-13(15)20(30)33-3/h4-9,17H,1-3H3,(H,22,28)(H2,23,24,31)/b26-25+
(5)Std. InChIKey:KEZJTZQNDCLRDB-OCEACIFDSA-N