Basic Information | Post buying leads | Suppliers |
Name |
4-Quinazolinamine, 2-chloro-7-fluoro- |
EINECS | N/A |
CAS No. | 1107695-02-2 | Density | 1.538 g/cm3 |
PSA | 51.80000 | LogP | 2.58570 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H5ClFN3 | Boiling Point | 317.319 °C at 760 mmHg |
Molecular Weight | 197.5968 | Flash Point | 145.71 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Amino-2-chloro-7-fluoroquinazoline;QC-8138;2-Chloro-4-amino-7-fluoroquinazoline; |
The CAS registry number of 4-Quinazolinamine, 2-chloro-7-fluoro- is 1107695-02-2. This chemical's molecular formula is C8H5ClFN3 and molecular weight is 197.5968. What's more, its IUPAC name is 2-Chloro-7-fluoroquinazolin-4-amine.
Physical properties about 4-Quinazolinamine, 2-chloro-7-fluoro- are: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.701; (4)ACD/LogD (pH 7.4): 1.713; (5)ACD/BCF (pH 5.5): 11.483; (6)ACD/BCF (pH 7.4): 11.793; (7)ACD/KOC (pH 5.5): 198.19; (8)ACD/KOC (pH 7.4): 203.539; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 51.8 Å2; (13)Index of Refraction: 1.696; (14)Molar Refractivity: 49.403 cm3; (15)Molar Volume: 128.437 cm3; (16)Polarizability: 19.585×10-24 cm3; (17)Surface Tension: 67.562 dyne/cm; (18)Density: 1.538 g/cm3; (19)Flash Point: 145.71 °C; (20)Enthalpy of Vaporization: 55.872 kJ/mol; (21)Boiling Point: 317.319 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2c(cc1F)nc(nc2N)Cl
(2) InChI: InChI=1/C8H5ClFN3/c9-8-12-6-3-4(10)1-2-5(6)7(11)13-8/h1-3H,(H2,11,12,13)
(3) InChIKey: FZZMTSNZRBFGGU-UHFFFAOYAS