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CAS No.: | 137553-43-6 |
---|---|
Name: | 7-BROMO-2,4-DIAMINOQUINAZOLINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H7BrN4 |
Molecular Weight: | 239.074 |
Synonyms: | 7-Bromoquinazoline-2,4-diamine;7-Bromo-2,4-diaminoquinazoline; |
Density: | 1.828 g/cm3 |
Boiling Point: | 509.4 °C at 760 mmHg |
Flash Point: | 261.9 °C |
PSA: | 77.82000 |
LogP: | 2.71910 |
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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%.
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