CAS No.13515-40-7,Pigment Yellow 73 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	13515-40-7
Name:	Pigment Yellow 73
Article Data:	1

Formula:	C₁₇H₁₅ClN₄O₅
Molecular Weight:	390.783
Synonyms:	Butanamide,2-[(4-chloro-2-nitrophenyl)azo]-N-(2-methoxyphenyl)-3-oxo- (9CI);o-Acetoacetanisidide,2-[(4-chloro-2-nitrophenyl)azo]- (7CI,8CI);Arylide Yellow GX;C.I. 11738;C.I.Pigment Yellow 73;Hansa Brilliant Yellow 4GX;Monolite Fast Yellow EYA;Pigment Yellow 73;Symuler Fast Yellow 4117;
EINECS:	236-852-7
Density:	1.409 g/cm³
Boiling Point:	545.48 °C at 760 mmHg
Flash Point:	283.696 °C
PSA:	125.94000
LogP:	4.53300

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Specification

The IUPAC name of Pigment Yellow 73 is 2-[(4-chloro-2-nitrophenyl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide. With the CAS registry number 13515-40-7, it is also named as Butanamide, 2-((4-chloro-2-nitrophenyl)azo)-N-(2-methoxyphenyl)-3-oxo-. The product's category is Organics, and the other registry numbers are 12225-12-6; 477904-37-3. In addition, its molecular formula is C₁₇H₁₅ClN₄O₅ and molecular weight is 390.78.

The other characteristics of Pigment Yellow 73 can be summarized as: (1)EINECS: 236-852-7; (2)ACD/LogP: 5.05; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 4.03; (5)ACD/LogD (pH 7.4): 2.7; (6)ACD/BCF (pH 5.5): 387.63; (7)ACD/BCF (pH 7.4): 17.98; (8)ACD/KOC (pH 5.5): 1274.36; (9)ACD/KOC (pH 7.4): 59.11; (10)#H bond acceptors: 9; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 7; (13)Polar Surface Area: 117.15 Å²; (14)Index of Refraction: 1.624; (15)Molar Refractivity: 97.94 cm³; (16)Molar Volume: 277.2 cm³; (17)Polarizability: 38.82×10^-24cm³; (18)Surface Tension: 53.5 dyne/cm; (19)Density: 1.4 g/cm³; (20)Flash Point: 283.7 °C; (21)Enthalpy of Vaporization: 82.43 kJ/mol; (22)Boiling Point: 545.5 °C at 760 mmHg; (23)Vapour Pressure: 5.9E-12 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc2cc(c(/N=N/C(C(=O)C)C(=O)Nc1ccccc1OC)cc2)[N+]([O-])=O
(2)InChI: InChI=1/C17H15ClN4O5/c1-10(23)16(17(24)19-13-5-3-4-6-15(13)27-2)21-20-12-8-7-11(18)9-14(12)22(25)26/h3-9,16H,1-2H3,(H,19,24)/b21-20+
(3)InChIKey: QPHCXDDGQQLPIM-QZQOTICOBF
(4)Std. InChI: InChI=1S/C17H15ClN4O5/c1-10(23)16(17(24)19-13-5-3-4-6-15(13)27-2)21-20-12-8-7-11(18)9-14(12)22(25)26/h3-9,16H,1-2H3,(H,19,24)/b21-20+
(5)Std. InChIKey: QPHCXDDGQQLPIM-QZQOTICOSA-N