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115822-58-7

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Basic Information
CAS No.: 115822-58-7
Name: CHROMAN-3-CARBONYL CHLORIDE
Article Data: 4
Molecular Structure:
Molecular Structure of 115822-58-7 (CHROMAN-3-CARBONYL CHLORIDE)
Formula: C10H9ClO2
Molecular Weight: 196.633
Synonyms: Chroman-3-carbonyl chloride;Chromane-3-carbonylchloride;2H-1-Benzopyran-3-carbonylchloride,3,4-dihydro-(9CI);
Density: 1.281 g/cm3
Boiling Point: 292.4 °C at 760 mmHg
Flash Point: 108.9 °C
PSA: 26.30000
LogP: 2.00310
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Specification

The CAS register number of 2H-1-Benzopyran-3-carbonylchloride, 3,4-dihydro- is 115822-58-7. It also can be called as Chroman-3-carbonyl chloride and the systematic name about this chemical is 3,4-dihydro-2H-chromene-3-carbonyl chloride. The molecular formula about this chemical is C10H9ClO2 and the molecular weight is 196.63. It belongs to the following product category which includes Acidhalide.

Physical properties about 2H-1-Benzopyran-3-carbonylchloride, 3,4-dihydro- are: (1)ACD/LogP: 2.48; (2)ACD/LogD (pH 5.5): 2.48; (3)ACD/LogD (pH 7.4): 2.48; (4)ACD/BCF (pH 5.5): 45.05; (5)ACD/BCF (pH 7.4): 45.05; (6)ACD/KOC (pH 5.5): 531.27; (7)ACD/KOC (pH 7.4): 531.27; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.557; (12)Molar Refractivity: 49.45 cm3; (13)Molar Volume: 153.4 cm3; (14)Polarizability: 19.6x10-24cm3; (15)Surface Tension: 43.9 dyne/cm; (16)Density: 1.281 g/cm3; (17)Flash Point: 108.9 °C; (18)Enthalpy of Vaporization: 53.19 kJ/mol; (19)Boiling Point: 292.4 °C at 760 mmHg; (20)Vapour Pressure: 0.00184 mmHg at 25 °C.

Uses of 2H-1-Benzopyran-3-carbonylchloride, 3,4-dihydro-: it can be used to produce chroman-3-yl-piperidin-1-yl-methanone with piperidine. This reaction will need solvent of tetrahydrofuran. The reaction time is 3-12 hours. The yield is about 81%.

2H-1-Benzopyran-3-carbonylchloride, 3,4-dihydro- can be used to produce chroman-3-yl-piperidin-1-yl-methanone with piperidine.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)C1Cc2c(OC1)cccc2
(2)InChI: InChI=1/C10H9ClO2/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-4,8H,5-6H2
(3)InChIKey: ISYMIZHFYTWMAQ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C10H9ClO2/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-4,8H,5-6H2
(5)Std. InChIKey: ISYMIZHFYTWMAQ-UHFFFAOYSA-N