Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(R)-((2-(Bromomethyl)-3-methylbutoxy)methyl)benzene |
EINECS | N/A |
CAS No. | 179993-02-3 | Density | 1.204 g/cm3 |
PSA | 9.23000 | LogP | 3.87030 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H19BrO | Boiling Point | 293.9 °C at 760 mmHg |
Molecular Weight | 271.197 | Flash Point | 130.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzene,[[2-(bromomethyl)-3-methylbutoxy]methyl]-, (R)-; |
Article Data | 1 |
The (R)-((2-(Bromomethyl)-3-methylbutoxy)methyl)benzene, with the CAS registry number 179993-02-3, is also known as Benzyl (2R)-2-(bromomethyl)-3-methylbutyl ether. This chemical's molecular formula is C13H19BrO and molecular weight is 271.19. Its systematic name is called benzene, [[[(2R)-2-(bromomethyl)-3-methylbutyl]oxy]methyl]-.
Physical properties of (R)-((2-(Bromomethyl)-3-methylbutoxy)methyl)benzene: (1)ACD/LogP: 4.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.48; (4)ACD/LogD (pH 7.4): 4.48; (5)ACD/BCF (pH 5.5): 1482.95; (6)ACD/BCF (pH 7.4): 1482.95; (7)ACD/KOC (pH 5.5): 6478.75; (8)ACD/KOC (pH 7.4): 6478.75; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.519; (13)Molar Refractivity: 68.36 cm3; (14)Molar Volume: 225 cm3; (15)Surface Tension: 35.4 dyne/cm; (16)Density: 1.204 g/cm3; (17)Flash Point: 130.2 °C; (18)Enthalpy of Vaporization: 51.22 kJ/mol; (19)Boiling Point: 293.9 °C at 760 mmHg; (20)Vapour Pressure: 0.00293 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)[C@H](COCc1ccccc1)CBr
(2)InChI: InChI=1/C13H19BrO/c1-11(2)13(8-14)10-15-9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t13-/m0/s1
(3)InChIKey: ADRDHWGOETUEBH-ZDUSSCGKBD