6-Bromo-2-chloro-4-quinazolinylamine supplier

Name
6-Bromo-2-chloroquinazolin-4-amine
EINECS
CAS No. 111218-89-4
Article Data2
CAS DataBase
Density 1.841 g/cm³
Solubility
Melting Point
Formula C8H5BrClN3
Boiling Point 369.7 °C at 760 mmHg
Molecular Weight 258.505
Flash Point 177.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-BROMO-2-CHLOROQUINAZOLIN-4-AMINE;6-BroMo-2-chloroquinazolin-4-aMin
PSA 52.53000
LogP 2.55800

6-Bromo-2-chloro-4-quinazolinylamine Specification

This chemical is called 6-Bromo-2-chloroquinazolin-4-amine, and its CAS registry number is 111218-89-4. With the molecular formula of C₁₂H₁₀BrClN₂O₂, its molecular weight is 258.50.

Other characteristics of the 6-Bromo-2-chloroquinazolin-4-amine can be summarised as followings: (1)ACD/LogP: 2.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.57; (4)ACD/LogD (pH 7.4): 2.57; (5)ACD/BCF (pH 5.5): 53.01; (6)ACD/BCF (pH 7.4): 53.03; (7)ACD/KOC (pH 5.5): 596.88; (8)ACD/KOC (pH 7.4): 597.04; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.02 Å²; (13)Index of Refraction: 1.748; (14)Molar Refractivity: 57.09 cm³; (15)Molar Volume: 140.4 cm³; (16)Polarizability: 22.63×10^-24cm³; (17)Surface Tension: 73.8 dyne/cm; (18)Density: 1.841 g/cm³; (19)Flash Point: 177.4 °C; (20)Enthalpy of Vaporization: 61.65 kJ/mol; (21)Boiling Point: 369.7 °C at 760 mmHg; (22)Vapour Pressure: 1.16E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Brc2cc1c(nc(Cl)nc1N)cc2
2.InChI: InChI=1/C8H5BrClN3/c9-4-1-2-6-5(3-4)7(11)13-8(10)12-6/h1-3H,(H2,11,12,13)
3.InChIKey: AUTBGOKOHKYWGG-UHFFFAOYAG

Product Name

6-Bromo-2-chloroquinazolin-4-amine

6-Bromo-2-chloro-4-quinazolinylamine Specification

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