4H-1-Benzopyran-4-one, 3-bromo-2,3-dihydro- supplier

Name
3-broMo-2,3-dihydrochroMen-4-one
EINECS
CAS No. 1776-09-6
Article Data22
CAS DataBase
Density 1.643 g/cm³
Solubility
Melting Point
Formula C₉H₇BrO₂
Boiling Point 319.598 °C at 760 mmHg
Molecular Weight 227.057
Flash Point 147.088 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Bromo-2,3-dihydrochromen-4-one;
PSA 26.30000
LogP 2.02520

4H-1-Benzopyran-4-one, 3-bromo-2,3-dihydro- Specification

The 4H-1-Benzopyran-4-one, 3-bromo-2,3-dihydro-, with the CAS registry number of 1776-09-6, is also known as 3-Bromo-2,3-dihydrochromen-4-one. Its molecular formula is C₉H₇BrO₂ and molecular weight is 227.0547. What's more, its systematic name is 3-Bromo-2,3-dihydro-4H-chromen-4-one.

Physical properties about the 4H-1-Benzopyran-4-one, 3-bromo-2,3-dihydro- are: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 43; (6)ACD/BCF (pH 7.4): 43; (7)ACD/KOC (pH 5.5): 511; (8)ACD/KOC (pH 7.4): 511; (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: 1.611; (14)Molar Refractivity: 47.949 cm³; (15)Molar Volume: 138.164 cm³; (16)Surface Tension: 50.791 dyne/cm; (17)Density: 1.643 g/cm³; (18)Flash Point: 147.088 °C; (19)Enthalpy of Vaporization: 56.12 kJ/mol; (20)Boiling Point: 319.598 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1c2ccccc2OCC1Br
(2) InChI: InChI=1/C9H7BrO2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-4,7H,5H2
(3) InChIKey: FTRRZJIVFMSIJJ-UHFFFAOYAZ

Product Name

3-broMo-2,3-dihydrochroMen-4-one

4H-1-Benzopyran-4-one, 3-bromo-2,3-dihydro- Specification

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