-
Name
5-Bromo-3-indolyldecanoate
- EINECS 1533716-785-6
- CAS No. 133950-71-7
- Density 1.272g/cm3
- Solubility
- Melting Point
- Formula C18H24BrNO2
- Boiling Point 475.3 °C at 760 mmHg
- Molecular Weight 366.298
- Flash Point 241.3 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Blue-caprate;5-BroMo-1H-indol-3-yl decanoate
- PSA 42.09000
- LogP 5.97650
Decanoic acid,5-bromo-1H-indol-3-yl ester Specification
The Decanoic acid,5-bromo-1H-indol-3-yl ester, with CAS registry number 133950-71-7, has the systematic name of 5-bromo-1H-indol-3-yl decanoate. Besides this, it is also called 5-Bromo-3-indolyldecanoate. Its molecular weight is 366.2927. And the chemical formula of this chemical is C18H24BrNO2.
Physical properties of Decanoic acid,5-bromo-1H-indol-3-yl ester: (1)ACD/LogP: 7.12; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.12; (4)ACD/LogD (pH 7.4): 7.12; (5)ACD/BCF (pH 5.5): 151184.66; (6)ACD/BCF (pH 7.4): 151184.66; (7)ACD/KOC (pH 5.5): 177447.03; (8)ACD/KOC (pH 7.4): 177447.03; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 42.09 Å2; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 94.62 cm3; (15)Molar Volume: 287.7 cm3; (16)Polarizability: 37.51×10-24cm3; (17)Surface Tension: 43.9 dyne/cm; (18)Density: 1.272 g/cm3; (19)Flash Point: 241.3 °C; (20)Enthalpy of Vaporization: 73.88 kJ/mol; (21)Boiling Point: 475.3 °C at 760 mmHg; (22)Vapour Pressure: 3.35E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCCC(=O)Oc2cnc1ccc(Br)cc12
(2)InChI: InChI=1/C18H24BrNO2/c1-2-3-4-5-6-7-8-9-18(21)22-17-13-20-16-11-10-14(19)12-15(16)17/h10-13,20H,2-9H2,1H3
(3)InChIKey: MSQDUIOYSURQKS-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C18H24BrNO2/c1-2-3-4-5-6-7-8-9-18(21)22-17-13-20-16-11-10-14(19)12-15(16)17/h10-13,20H,2-9H2,1H3
(5)Std. InChIKey: MSQDUIOYSURQKS-UHFFFAOYSA-N
Related Products
- Decanoic acid
- Decanoic acid, (1aR,1bS,4aR,7aS,7bR,8R,9R,9aS)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b,9a-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester
- Decanoic acid, 1,2,3-propanetriyl ester
- Decanoic acid, 2,3-dihydroxypropyl ester
- Decanoic acid, 2-bromo-
- Decanoic acid, 3-hydroxy-, (+-)-
- Decanoic acid, 6-hydroxy-
- Decanoic acid, cyclopentylmethyl ester
- Decanoic acid, diester with triethylene glycol (mixed isomers)
- Decanoic acid, octylester
- 133950-77-3
- 13395-16-9
- 13395-35-2
- 13395-36-3
- 13395-76-1
- 13396-94-6
- 133970-31-7
- 13397-24-5
- 133972-52-8
- 13397-26-7
Hot Products
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View