2H-1-Benzopyran-3-carboxaldehyde,4-chloro-6-fluoro- supplier

Name
4-CHLORO-6-FLUORO-2H-BENZOPYRAN-3-CARBOXALDEHYDE
EINECS 200-481-0
CAS No. 105799-69-7
Article Data2
CAS DataBase
Density 1.42 g/cm³
Solubility
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
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Chloro-6-fluoro-2H-chromene-3-carbaldehyde;
PSA 26.30000
LogP 2.36690

2H-1-Benzopyran-3-carboxaldehyde,4-chloro-6-fluoro- Specification

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

Product Name

4-CHLORO-6-FLUORO-2H-BENZOPYRAN-3-CARBOXALDEHYDE

2H-1-Benzopyran-3-carboxaldehyde,4-chloro-6-fluoro- Specification

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