1-(2-Bromo-phenyl)-3-(7-cyano-3H-benzotriazol-4-yl)-urea supplier

Name
GSK-CXCR2
EINECS
CAS No. 211096-49-0
Density 1.779 g/cm³
Solubility
Melting Point
Formula C₁₄H₉BrN₆O
Boiling Point 527 °C at 760 mmHg
Molecular Weight 357.17
Flash Point 272.5 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms GSK-CXCR2;SB 265610;
PSA 106.49000
LogP 3.38208

1-(2-Bromo-phenyl)-3-(7-cyano-3H-benzotriazol-4-yl)-urea Specification

The 1-(2-Bromo-phenyl)-3-(7-cyano-3H-benzotriazol-4-yl)-urea, with the CAS registry number of 211096-49-0, is also known as SB 265610. This chemical's molecular formula is C₁₄H₉BrN₆O and molecular weight is 357.17. What's more, its systematic name is called 1-(2-Bromo-phenyl)-3-(7-cyano-3H-benzotriazol-4-yl)-urea. Besides, 1-(2-Bromo-phenyl)-3-(7-cyano-3H-benzotriazol-4-yl)-urea can be stored at room temperature.

Physical properties about 1-(2-Bromo-phenyl)-3-(7-cyano-3H-benzotriazol-4-yl)-urea are: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 38; (6)ACD/BCF (pH 7.4): 15; (7)ACD/KOC (pH 5.5): 471; (8)ACD/KOC (pH 7.4): 188; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 106.49 Å²; (13)Index of Refraction: 1.763; (14)Molar Refractivity: 82.878 cm³; (15)Molar Volume: 200.729 cm³; (16)Surface Tension: 100.314 dyne/cm; (17)Density: 1.779 g/cm³; (18)Flash Point: 272.5 °C; (19)Enthalpy of Vaporization: 80.15 kJ/mol; (20)Boiling Point: 527 °C at 760 mmHg; (21)Vapour Pressure: 3.39E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccccc1NC(=O)Nc2ccc(C#N)c3nnnc23
(2) InChI: InChI=1/C14H9BrN6O/c15-9-3-1-2-4-10(9)17-14(22)18-11-6-5-8(7-16)12-13(11)20-21-19-12/h1-6H,(H2,17,18,22)(H,19,20,21)
(3) InChIKey: SEDUMQWZEOMXSO-UHFFFAOYAY

Product Name

GSK-CXCR2

1-(2-Bromo-phenyl)-3-(7-cyano-3H-benzotriazol-4-yl)-urea Specification

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