Disperse red 118 supplier | CasNO.52623-75-3

Name
Disperse red 118
EINECS 262-813-9
CAS No. 52623-75-3
Density 1.81 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₅Br₂ClN₄O₄
Boiling Point 676.5 °C at 760 mmHg
Molecular Weight 522.5757
Flash Point 363 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethanol,2,2'-[[3-chloro-4-[(2,6-dibromo-4-nitrophenyl)azo]phenyl]imino]bis- (9CI);Ethanol,2,2'-[[3-chloro-4-[2-(2,6-dibromo-4-nitrophenyl)diazenyl]phenyl]imino]bis-;
PSA
LogP

Disperse red 118 Specification

The Disperse red 118, with the CAS registry number 52623-75-3, is also known as Ethanol, 2, 2'-[[3-chloro-4-[2-(2, 6-dibromo-4-nitrophenyl)diazenyl]phenyl]imino]bis-. This chemical's molecular formula is C₁₆H₁₅Br₂ClN₄O₄ and molecular weight is 522.5757. What's more, its systematic name is 2-[[3-Chloro-4-(2, 6-dibromo-4-nitro-phenyl)azo-phenyl]-(2-hydroxyethyl)amino]ethanol.

Physical properties about Disperse red 118 are: (1)ACD/LogP: 5.19; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 5.19; (4)ACD/LogD (pH 7.4): 5.19; (5)#H bond acceptors: 8; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 10; (8)Polar Surface Area: 114.24 Å²; (9)Index of Refraction: 1.677; (10)Molar Refractivity: 108.32 cm³; (11)Molar Volume: 287.6 cm³; (12)Polarizability: 42.94×10^-24 cm³; (13)Surface Tension: 62.5 dyne/cm; (14)Density: 1.81 g/cm³; (15)Flash Point: 363 °C; (16)Enthalpy of Vaporization: 104.34 kJ/mol; (17)Boiling Point: 676.5 °C at 760 mmHg; (18)Vapour Pressure: 3.15E-19 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc2cc(cc(Br)c2N=Nc1ccc(cc1Cl)N(CCO)CCO)[N+]([O-])=O
(2) InChI: InChI=1/C16H15Br2ClN4O4/c17-12-7-11(23(26)27)8-13(18)16(12)21-20-15-2-1-10(9-14(15)19)22(3-5-24)4-6-25/h1-2,7-9,24-25H,3-6H2
(3) InChIKey: NMNGPGUKCHNKOE-UHFFFAOYAQ

Product Name

Disperse red 118

Disperse red 118 Specification

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