Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2H-1-Benzopyran-3-carboxaldehyde,4-chloro-6-fluoro- |
EINECS | 200-481-0 |
CAS No. | 105799-69-7 | Density | 1.42 g/cm3 |
PSA | 26.30000 | LogP | 2.36690 |
Solubility | N/A | Melting Point |
84-88 °C(lit.) |
Formula | C10H6ClFO2 | Boiling Point | 332.6 °C at 760 mmHg |
Molecular Weight | 212.60 | Flash Point | 154.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:Irritant; |
|
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4-Chloro-6-fluoro-2H-chromene-3-carbaldehyde; |
Article Data | 2 |
The CAS registry number of 2H-1-Benzopyran-3-carboxaldehyde,4-chloro-6-fluoro- is 105799-69-7. The IUPAC name systematic name is 4-chloro-6-fluoro-2H-chromene-3-carbaldehyde. In addition, the molecular formula is C10H6ClFO2 and the molecular weight is 212.60. What's more, it belongs to the classes of Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrans; PyransHeterocyclic Building Blocks. It should be stored in sealed container, and put in a cool and dry place.
Physical properties about 2H-1-Benzopyran-3-carboxaldehyde,4-chloro-6-fluoro- are: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.579; (8)Molar Refractivity: 49.7 cm3; (9)Molar Volume: 149.5 cm3; (10)Polarizability: 19.7 ×10-24cm3; (11)Surface Tension: 45.4 dyne/cm; (12)Density: 1.42 g/cm3; (13)Flash Point: 154.4 °C; (14)Enthalpy of Vaporization: 57.54 kJ/mol; (15)Boiling Point: 332.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000144 mmHg at 25°C.
Uses of 2H-1-Benzopyran-3-carboxaldehyde,4-chloro-6-fluoro-: it can react with 5-(4-chloro-phenyl)-1(2)H-pyrazol-3-ylamine to get 2-(4-chloro-phenyl)-10-fluoro-6H-7-oxa-1,4,11c-triaza-cyclopenta[c]phenanthrene. This reaction will need solvent ethanol. The yield is about 58% by heating.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc2ccc1OCC(=C(/Cl)c1c2)/C=O
(2)InChI: InChI=1/C10H6ClFO2/c11-10-6(4-13)5-14-9-2-1-7(12)3-8(9)10/h1-4H,5H2
(3)InChIKey: RBLLNXBYFXPIPW-UHFFFAOYAG