4H-1-Benzopyran-4-one,8-chloro-2,3-dihydro- supplier

Name
8-CHLORO-2,3-DIHYDRO-4H-CHROMEN-4-ONE
EINECS 1312995-182-4
CAS No. 49701-11-3
Article Data6
CAS DataBase
Density 1.345 g/cm³
Solubility
Melting Point
Formula C₉H₇ClO₂
Boiling Point 321.8 °C at 760 mmHg
Molecular Weight 182.606
Flash Point 149.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 8-Chloro-4-chromanone;
PSA 26.30000
LogP 2.30520

4H-1-Benzopyran-4-one,8-chloro-2,3-dihydro- Specification

The 4H-1-Benzopyran-4-one,8-chloro-2,3-dihydro-, with the CAS registry number of 49701-11-3, is also known as 8-Chloro-4-chromanone. Its molecular formula is C₉H₇ClO₂ and molecular weight is 182.60368. What's more, its systematic name is 8-Chloro-2,3-dihydro-4H-chromen-4-one.

Physical properties about the 4H-1-Benzopyran-4-one,8-chloro-2,3-dihydro- are: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 77.21; (6)ACD/BCF (pH 7.4): 77.21; (7)ACD/KOC (pH 5.5): 781.28; (8)ACD/KOC (pH 7.4): 781.28; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 45.05 cm³; (15)Molar Volume: 135.7 cm³; (16)Surface Tension: 46.8 dyne/cm; (17)Density: 1.345 g/cm³; (18)Flash Point: 149.6 °C; (19)Enthalpy of Vaporization: 56.36 kJ/mol; (20)Boiling Point: 321.8 °C at 760 mmHg; (21)Vapour Pressure: 0.000291 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2cccc1c2OCCC1=O
(2) InChI: InChI=1/C9H7ClO2/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3H,4-5H2
(3) InChIKey: VWENHHJICDZGQB-UHFFFAOYAN

Product Name

8-CHLORO-2,3-DIHYDRO-4H-CHROMEN-4-ONE

4H-1-Benzopyran-4-one,8-chloro-2,3-dihydro- Specification

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