5-Bromo-1H-inden-2(3H)-one supplier

Name
2H-INDEN-2-ONE, 5-BROMO-1,3-DIHYDRO-
EINECS
CAS No. 174349-93-0
Article Data3
CAS DataBase
Density 1.608 g/cm³
Solubility
Melting Point
Formula C₉H₇BrO
Boiling Point 299.5 °C at 760 mmHg
Molecular Weight 211.058
Flash Point 117.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Bromo-2-indanone;
PSA 17.07000
LogP 2.11680

5-Bromo-1H-inden-2(3H)-one Specification

This chemical is called 5-Bromo-1H-inden-2(3H)-one, and it can also be named as 2H-inden-2-one, 5-bromo-1,3-dihydro-. With the molecular formula of C₉H₇BrO, its molecular weight is 211.05. The CAS registry number of this chemical is 174349-93-0.

Other characteristics of the 5-Bromo-1H-inden-2(3H)-one can be summarised as followings: (1)ACD/LogP: 2.00; (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): 19.48; (6)ACD/BCF (pH 7.4): 19.48; (7)ACD/KOC (pH 5.5): 291.53; (8)ACD/KOC (pH 7.4): 291.53; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 46.24 cm³; (15)Molar Volume: 131.2 cm³; (16)Polarizability: 18.33×10^-24cm³; (17)Surface Tension: 49.9 dyne/cm; (18)Density: 1.608 g/cm³; (19)Flash Point: 117.2 °C; (20)Enthalpy of Vaporization: 53.95 kJ/mol; (21)Boiling Point: 299.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00119 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Brc1ccc2CC(=O)Cc2c1
2.InChI: InChI=1/C9H7BrO/c10-8-2-1-6-4-9(11)5-7(6)3-8/h1-3H,4-5H2
3.InChIKey: JQBSSMBLVVTRKJ-UHFFFAOYAU
4.Std. InChI: InChI=1S/C9H7BrO/c10-8-2-1-6-4-9(11)5-7(6)3-8/h1-3H,4-5H2
5.Std. InChIKey: JQBSSMBLVVTRKJ-UHFFFAOYSA-N

Product Name

2H-INDEN-2-ONE, 5-BROMO-1,3-DIHYDRO-

5-Bromo-1H-inden-2(3H)-one Specification

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