4-CHLORO-2-OXO-2H-CHROMENE-3-CARBALDEHYDE

The CAS register number of 2H-1-Benzopyran-3-carboxaldehyde,4-chloro-2-oxo- is 50329-91-4. It also can be called as 4-Chloro-3-formylcoumarin and the systematic name about this chemical is 4-chloro-2-oxo-2H-chromene-3-carbaldehyde. The molecular formula about this chemical is C₁₀H₅ClO₃ and the molecular weight is 208.6. It belongs to the following product categories which include Building Blocks; Coumarins; CoumarinsHeterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks and so on.

Physical properties about 2H-1-Benzopyran-3-carboxaldehyde,4-chloro-2-oxo- are: (1)ACD/LogP: 1.52; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 43.37 Å²; (5)Index of Refraction: 1.618; (6)Molar Refractivity: 49.71 cm³; (7)Molar Volume: 141.8 cm³; (8)Polarizability: 19.7x10^-24cm³; (9)Surface Tension: 54.8 dyne/cm; (10)Density: 1.47 g/cm³; (11)Flash Point: 173.7 °C; (12)Enthalpy of Vaporization: 62.18 kJ/mol; (13)Boiling Point: 374.5 °C at 760 mmHg; (14)Vapour Pressure: 8.34E-06 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and it may cause inflammation to the skin or other mucous membranes. If you want to use it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to store it, you should keep the container tightly sealed in dry, cool places. If you store and use this chemical according the rule, it will not be decomposed. Usually it is not harmful to water. If no official permission, do not put materials into the permission surroundings.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC=1c2c(OC(=O)C=1C=O)cccc2
(2)InChI: InChI=1/C10H5ClO3/c11-9-6-3-1-2-4-8(6)14-10(13)7(9)5-12/h1-5H
(3)InChIKey: CLLLQUGVEQADNN-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C10H5ClO3/c11-9-6-3-1-2-4-8(6)14-10(13)7(9)5-12/h1-5H
(5)Std. InChIKey: CLLLQUGVEQADNN-UHFFFAOYSA-N