CAS No.22607-31-4,2-(2,4-dihydroxyphenyl)-2H-benzotriazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	22607-31-4
Name:	2-(2,4-dihydroxyphenyl)-2H-benzotriazole

Formula:	C₁₂H₉N₃O₂
Molecular Weight:	227.222
Synonyms:	Resorcinol,4-(2H-benzotriazol-2-yl)- (7CI,8CI);2-(2,4-Dihydroxyphenyl)-2H-benzotriazole;2-(2,4-Dihydroxyphenyl)benzotriazole;2-(2',4'-Dihydroxyphenyl)benzotriazole;4-(2H-Benzotriazol-2-yl)resorcinol;Dainsorb T 0;
Density:	1.465 g/cm³
Melting Point:	200 °C
Boiling Point:	484.605 °C at 760 mmHg
Flash Point:	246.88 °C
PSA:	71.17000
LogP:	1.83170

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Specification

The 1,3-Benzenediol,4-(2H-benzotriazol-2-yl)-, with CAS registry number 22607-31-4, has the systematic name of 4-(benzotriazol-2-yl)benzene-1,3-diol. Besides this, it is also called 2-(2,4-dihydroxyphenyl)-2H-benzotriazole. And the chemical formula of this chemical is C₁₂H₉N₃O₂.

Physical properties of 1,3-Benzenediol,4-(2H-benzotriazol-2-yl)-: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 123; (6)ACD/BCF (pH 7.4): 56; (7)ACD/KOC (pH 5.5): 1083; (8)ACD/KOC (pH 7.4): 491; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 71.17 Å²; (13)Index of Refraction: 1.731; (14)Molar Refractivity: 61.967 cm³; (15)Molar Volume: 155.051 cm³; (16)Polarizability: 24.566×10^-24cm³; (17)Surface Tension: 63.829 dyne/cm; (18)Density: 1.465 g/cm³; (19)Flash Point: 246.88 °C; (20)Enthalpy of Vaporization: 77.849 kJ/mol; (21)Boiling Point: 484.605 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)nn(n2)c3ccc(cc3O)O
(2)InChI: InChI=1/C12H9N3O2/c16-8-5-6-11(12(17)7-8)15-13-9-3-1-2-4-10(9)14-15/h1-7,16-17H
(3)InChIKey: LEBRCVXHIFZXEM-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C12H9N3O2/c16-8-5-6-11(12(17)7-8)15-13-9-3-1-2-4-10(9)14-15/h1-7,16-17H
(5)Std. InChIKey: LEBRCVXHIFZXEM-UHFFFAOYSA-N