7-Bromo-2,4-diaminoquinazoline supplier

Name
7-BROMO-2,4-DIAMINOQUINAZOLINE
EINECS
CAS No. 137553-43-6
Article Data2
CAS DataBase
Density 1.828 g/cm³
Solubility
Melting Point
Formula C₈H₇BrN₄
Boiling Point 509.4 °C at 760 mmHg
Molecular Weight 239.074
Flash Point 261.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7-Bromoquinazoline-2,4-diamine;7-Bromo-2,4-diaminoquinazoline;
PSA 77.82000
LogP 2.71910

7-Bromo-2,4-diaminoquinazoline Specification

The 2,4-Quinazolinediamine,7-bromo-, with the CAS registry number 137553-43-6, is also known as 7-Bromo-2,4-diaminoquinazoline. This chemical's molecular formula is C₈H₇BrN₄ and molecular weight is 239.07. What's more, its IUPAC name is 7-bromoquinazoline-2,4-diamine.

Physical properties of 2,4-Quinazolinediamine,7-bromo- are: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.6; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 15.45; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 32.26 Å²; (12)Index of Refraction: 1.81; (13)Molar Refractivity: 56.44 cm³; (14)Molar Volume: 130.7 cm³; (15)Polarizability: 22.37×10^-24cm³; (16)Surface Tension: 88.9 dyne/cm; (17)Density: 1.828 g/cm³; (18)Flash Point: 261.9 °C; (19)Enthalpy of Vaporization: 78 kJ/mol; (20)Boiling Point: 509.4 °C at 760 mmHg; (21)Vapour Pressure: 1.7E-10 mmHg at 25°C.

Preparation of 2,4-Quinazolinediamine,7-bromo-: this chemical can be prepared by guanidine; carbonate (2:1) and 4-bromo-2-fluorobenzonitrile at the temperature of 150 °C. This reaction will need solvent N,N-dimethyl-acetamide with the reaction time of 6 hours. The yield is about 59%.

2,4-Quinazolinediamine,7-bromo- can be prepared by guanidine; carbonate (2:1) and 4-bromo-2-fluorobenzonitrile at the temperature of 150 °C

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=C1Br)N=C(N=C2N)N
(2)InChI: InChI=1S/C8H7BrN4/c9-4-1-2-5-6(3-4)12-8(11)13-7(5)10/h1-3H,(H4,10,11,12,13)
(3)InChIKey: YPWBLOIRVSSESG-UHFFFAOYSA-N

Product Name

7-BROMO-2,4-DIAMINOQUINAZOLINE

7-Bromo-2,4-diaminoquinazoline Specification

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