7-Bromochroman-4-one supplier

Name
7-Bromo-4-chromanone
EINECS 1308068-626-2
CAS No. 18442-22-3
Article Data4
CAS DataBase
Density 1.622 g/cm³
Solubility
Melting Point
Formula C₉H₇BrO₂
Boiling Point 336.585 °C at 760 mmHg
Molecular Weight 227.057
Flash Point 157.361 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7-Bromo-4-chromanone;
PSA 26.30000
LogP 2.41430

7-Bromochroman-4-one Specification

The 7-Bromochroman-4-one, with the CAS registry number of 18442-22-3, is also known as 7-Bromo-4-chromanone. Its molecular formula is C₉H₇BrO₂ and molecular weight is 227.05468. What's more, its systematic name is 7-Bromo-2,3-dihydro-4H-chromen-4-one.

Physical properties about the 7-Bromochroman-4-one are: (1).ACD/LogP: 2.49; (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): 46; (6)ACD/BCF (pH 7.4): 46; (7)ACD/KOC (pH 5.5): 539; (8)ACD/KOC (pH 7.4): 539; (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: 1.599; (14)Molar Refractivity: 47.853 cm³; (15)Molar Volume: 139.988 cm³; (16)Surface Tension: 48.324 dyne/cm; (17)Density: 1.622 g/cm³; (18)Flash Point: 157.361 °C; (19)Enthalpy of Vaporization: 57.975 kJ/mol; (20)Boiling Point: 336.585 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2c(cc1Br)OCCC2=O
(2) InChI: InChI=1/C9H7BrO2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5H,3-4H2
(3) InChIKey: DMEAYYYHWLCPCD-UHFFFAOYAI

Product Name

7-Bromo-4-chromanone

7-Bromochroman-4-one Specification

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