Hexanoic acid,2,4,6-tribromophenyl ester supplier

Name
2,4,6-TRIBROMOPHENYL N-HEXANOATE
EINECS
CAS No. 16732-09-5
Article Data1
CAS DataBase
Density 1.775 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₃Br₃O₂
Boiling Point 400.1 °C at 760 mmHg
Molecular Weight 428.94
Flash Point 195.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phenol,2,4,6-tribromo-, hexanoate;2,4,6-Tribromophenyl caproate;Caproic acid 2,4,6-tribromophenyl ester;
PSA 26.30000
LogP 5.45980

Hexanoic acid,2,4,6-tribromophenyl ester Specification

The Hexanoic acid,2,4,6-tribromophenyl ester, with the CAS registry number 16732-09-5, is also known as Caproic acid 2,4,6-tribromophenyl ester. This chemical's molecular formula is C₁₂H₁₃Br₃O₂and molecular weight is 428.94. What's more, both its IUPAC name and systematic name are the same which is called 2,4,6-Tribromophenyl hexanoate.

Physical properties about Hexanoic acid,2,4,6-tribromophenyl ester are: (1)ACD/LogP: 5.84; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.84; (4)ACD/LogD (pH 7.4): 5.84; (5)ACD/BCF (pH 5.5): 16100.44; (6)ACD/BCF (pH 7.4): 16100.44; (7)ACD/KOC (pH 5.5): 35714.26; (8)ACD/KOC (pH 7.4): 35714.26; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 79.19 cm³; (15)Molar Volume: 241.6 cm³; (16)Polarizability: 31.39×10^-24cm³; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.775 g/cm³; (19)Flash Point: 195.8 °C; (20)Enthalpy of Vaporization: 65.09 kJ/mol; (21)Boiling Point: 400.1 °C at 760 mmHg; (22)Vapour Pressure: 1.31E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(Br)cc(Br)c1OC(=O)CCCCC
(2)InChI: InChI=1/C12H13Br3O2/c1-2-3-4-5-11(16)17-12-9(14)6-8(13)7-10(12)15/h6-7H,2-5H2,1H3
(3)InChIKey: WKADNUIXFNFRSW-UHFFFAOYAE

Product Name

2,4,6-TRIBROMOPHENYL N-HEXANOATE

Hexanoic acid,2,4,6-tribromophenyl ester Specification

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