1H-2-Benzopyran-4(3H)-one,6-bromo- supplier

Name
6-Bromo-4-isochromanone
EINECS
CAS No. 676134-68-2
Article Data4
CAS DataBase
Density 1.622 g/cm³
Solubility
Melting Point
Formula C₉H₇BrO₂
Boiling Point 336.077 °C at 760 mmHg
Molecular Weight 227.05
Flash Point 157.054 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Bromoisochroman-4-one;6-Bromo-4-isochromanone;
PSA 26.30000
LogP 2.16200

1H-2-Benzopyran-4(3H)-one,6-bromo- Specification

The 1H-2-Benzopyran-4(3H)-one,6-bromo-, with the CAS registry number 676134-68-2, is also known as 6-Bromo-4-isochromanone. This chemical's molecular formula is C₉H₇BrO₂ and molecular weight is 227.05. What's more, its systematic name is 6-bromoisochroman-4-one.

Physical properties of 1H-2-Benzopyran-4(3H)-one,6-bromo- are: (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.677; (4)ACD/LogD (pH 7.4): 0.677; (5)ACD/BCF (pH 5.5): 1.924; (6)ACD/BCF (pH 7.4): 1.924; (7)ACD/KOC (pH 5.5): 55.593; (8)ACD/KOC (pH 7.4): 55.593; (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)Polarizability: 18.97×10^-24cm³; (17)Surface Tension: 48.324 dyne/cm; (18)Density: 1.622 g/cm³; (19)Flash Point: 157.054 °C; (20)Enthalpy of Vaporization: 57.92 kJ/mol; (21)Boiling Point: 336.077 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Br)C(=O)COC2
(2)InChI: InChI=1S/C9H7BrO2/c10-7-2-1-6-4-12-5-9(11)8(6)3-7/h1-3H,4-5H2
(3)InChIKey: KOROTCDTJPLXMA-UHFFFAOYSA-N

Product Name

6-Bromo-4-isochromanone

1H-2-Benzopyran-4(3H)-one,6-bromo- Specification

Related Products

Hot Products