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41295-65-2

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Basic Information
CAS No.: 41295-65-2
Name: 4-Chloromethyl-6-methyl-chromen-2-one ,97%
Article Data: 10
Molecular Structure:
Molecular Structure of 41295-65-2 (4-Chloromethyl-6-methyl-chromen-2-one ,97%)
Formula: C11H9ClO2
Molecular Weight: 208.644
Synonyms: Coumarin,4-(chloromethyl)-6-methyl- (3CI);4-(Chloromethyl)-6-methylcoumarin;
EINECS: 200-156-0
Density: 1.273 g/cm3
Boiling Point: 348.3 °C at 760 mmHg
Flash Point: 184.1 °C
Safety: 24/25
PSA: 30.21000
LogP: 2.84020
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Specification

The 2H-1-Benzopyran-2-one,4-(chloromethyl)-6-methyl- is an organic compound with the formula C11H9ClO2. The systematic name of this chemical is 4-(chloromethyl)-7-methyl-2H-chromen-2-one. With the CAS registry number 41295-65-2, it is also named as 4-(chloromethyl)-7-methylchromen-2-one.

Physical properties about 2H-1-Benzopyran-2-one,4-(chloromethyl)-6-methyl- are: (1)ACD/LogP: 2.90; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 26.3 Å2; (5)Index of Refraction: 1.574; (6)Molar Refractivity: 54.13 cm3; (7)Molar Volume: 163.8 cm3; (8)Polarizability: 21.45×10-24cm3; (9)Surface Tension: 42.8 dyne/cm; (10)Density: 1.273 g/cm3; (11)Flash Point: 184.1 °C; (12)Enthalpy of Vaporization: 59.26 kJ/mol; (13)Boiling Point: 348.3 °C at 760 mmHg; (14)Vapour Pressure: 5.1E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-chloromethyl-6-methyl-coumarin. This reaction will need reagent 0.1 M aq. NaOH. The reaction time is 30 min by heating. The yield is about 100%.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC=1c2c(OC(=O)C=1)cc(cc2)C
(2)InChI: InChI=1/C11H9ClO2/c1-7-2-3-9-8(6-12)5-11(13)14-10(9)4-7/h2-5H,6H2,1H3
(3)InChIKey: FFFLTPZFXWCHCT-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C11H9ClO2/c1-7-2-3-9-8(6-12)5-11(13)14-10(9)4-7/h2-5H,6H2,1H3
(5)Std. InChIKey: FFFLTPZFXWCHCT-UHFFFAOYSA-N