Basic Information | Post buying leads | Suppliers |
Name |
t-Butyl 4-bromo-1-naphthalenecarboxylate |
EINECS | N/A |
CAS No. | 929000-22-6 | Density | 1.352 g/cm3 |
PSA | 26.30000 | LogP | 4.55760 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H15BrO2 | Boiling Point | 393.655 °C at 760 mmHg |
Molecular Weight | 307.187 | Flash Point | 191.876 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Methyl-2-propanyl 4-bromo-1-naphthoate; |
The t-Butyl 4-bromo-1-naphthalenecarboxylate, with the CAS registry number 929000-22-6, is also known as 1-Naphthalenecarboxylic acid, 4-bromo-, 1,1-dimethylethyl ester. It belongs to the product categories of Blocks; Bromides; Carboxes. This chemical's molecular formula is C15H15BrO2 and molecular weight is 307.18. What's more, its systematic name is 2-Methyl-2-propanyl 4-bromo-1-naphthoate.
Physical properties of t-Butyl 4-bromo-1-naphthalenecarboxylate are: (1)ACD/LogP: 5.407; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.41; (4)ACD/LogD (pH 7.4): 5.41; (5)ACD/BCF (pH 5.5): 7568.74; (6)ACD/BCF (pH 7.4): 7568.74; (7)ACD/KOC (pH 5.5): 20806.35; (8)ACD/KOC (pH 7.4): 20806.35; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 77.423 cm3; (15)Molar Volume: 227.195 cm3; (16)Polarizability: 30.693×10-24cm3; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.352 g/cm3; (19)Flash Point: 191.876 °C; (20)Enthalpy of Vaporization: 64.357 kJ/mol; (21)Boiling Point: 393.655 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)c1ccc(c2c1cccc2)Br
(2)Std. InChI: InChI=1S/C15H15BrO2/c1-15(2,3)18-14(17)12-8-9-13(16)11-7-5-4-6-10(11)12/h4-9H,1-3H3
(3)Std. InChIKey: JCSZXGTXRLOCHN-UHFFFAOYSA-N