4-Chloro-6-fluoroquinazoline supplier

Name
4-CHLORO-6-FLUOROQUINAZOLINE
EINECS
CAS No. 16499-61-9
Article Data15
CAS DataBase
Density 1.447 g/cm³
Solubility
Melting Point
Formula C₈H₄ClFN₂
Boiling Point 284.881 °C at 760 mmHg
Molecular Weight 182.585
Flash Point 126.092 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 22-37/38-41
Molecular Structure
Hazard Symbols Xn
Synonyms 4-CHLORO-6-FLUOROQUINAZOLINE
PSA 25.78000
LogP 2.42230

4-Chloro-6-fluoroquinazoline Specification

The IUPAC name of 4-Chloro-6-fluoroquinazoline is 4-Chloro-6-fluoroquinazoline. With the CAS registry number 16499-61-9, it is also named as Quinazoline,4-chloro-6-fluoro-. The product's categories are Pharmacetical and Chiral Chemicals. In addition, its molecular formula is C₈H₄ClFN₂ and its molecular weight is 182.58.

The other characteristics of 4-Chloro-6-fluoroquinazoline can be summarized as: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.73; (4)ACD/LogD (pH 7.4): 1.73; (5)ACD/BCF (pH 5.5): 12.24; (6)ACD/BCF (pH 7.4): 12.24; (7)ACD/KOC (pH 5.5): 209.06; (8)ACD/KOC (pH 7.4): 209.06; (9)H bond acceptors: 2; (10)H bond donors: 0; (11)Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å²; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 45.16 cm³; (15)Molar Volume: 126.1 cm³; (16)Polarizability: 17.9×10^-24cm³; (17)Surface Tension: 54.2 dyne/cm; (18)Density: 1.447 g/cm³; (19)Flash Point: 126.1 °C; (20)Enthalpy of Vaporization: 50.29 kJ/mol; (21)Boiling Point: 284.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00498 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Clc2ncnc1ccc(F)cc12
(2)InChI:InChI=1/C8H4ClFN2/c9-8-6-3-5(10)1-2-7(6)11-4-12-8/h1-4H
(3)InChIKey:XIKGISGZFBCGDW-UHFFFAOYAU
(4)Std. InChI:InChI=1S/C8H4ClFN2/c9-8-6-3-5(10)1-2-7(6)11-4-12-8/h1-4H
(5)Std. InChIKey:XIKGISGZFBCGDW-UHFFFAOYSA-N

Product Name

4-CHLORO-6-FLUOROQUINAZOLINE

4-Chloro-6-fluoroquinazoline Specification

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