Basic Information | Post buying leads | Suppliers |
Name |
Hexadecanoic acid, 16-bromo-, methyl ester |
EINECS | N/A |
CAS No. | 26825-89-8 | Density | 1.072 g/cm3 |
PSA | 26.30000 | LogP | 6.01570 |
Solubility | N/A | Melting Point |
30-32 ºC |
Formula | C17H33BrO2 | Boiling Point | 384.8 °C at 760 mmHg |
Molecular Weight | 349.352 | Flash Point | 204.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 36 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
16-Bromohexadecanoicacid methyl ester;Methyl 16-bromohexadecanoate;Methyl 16-bromopalmitate;16-Bromo-hexadecanoic acid methyl ester; |
The Hexadecanoic acid, 16-bromo-, methyl ester, with the CAS registry number 26825-89-8, is also known as 16-Bromo-hexadecanoic acid methyl ester. This chemical's molecular formula is C17H33BrO2 and molecular weight is 349.35. What's more, its systematic name is methyl 16-bromohexadecanoate. It is irritating to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
Physical properties of Hexadecanoic acid, 16-bromo-, methyl ester are: (1)ACD/LogP: 7.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.48; (4)ACD/BCF (pH 5.5): 283547.47; (5)ACD/KOC (pH 5.5): 278332.16; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 16; (9)Polar Surface Area: 26.3 Å2; (10)Index of Refraction: 1.466; (11)Molar Refractivity: 90.31 cm3; (12)Molar Volume: 325.8 cm3; (13)Surface Tension: 33.7 dyne/cm; (14)Density: 1.072 g/cm3; (15)Flash Point: 204.5 °C; (16)Enthalpy of Vaporization: 63.35 kJ/mol; (17)Boiling Point: 384.8 °C at 760 mmHg; (18)Vapour Pressure: 3.99E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCCCCCCCCCCCCCCCC(=O)OC
(2)InChI: InChI=1S/C17H33BrO2/c1-20-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18/h2-16H2,1H3
(3)InChIKey: ZYTQDEJMRYPSHE-UHFFFAOYSA-N