t-Butyl 4-bromo-1-naphthalenecarboxylate supplier

Name
t-Butyl 4-bromo-1-naphthalenecarboxylate
EINECS
CAS No. 929000-22-6
Density 1.352 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₅BrO₂
Boiling Point 393.655 °C at 760 mmHg
Molecular Weight 307.187
Flash Point 191.876 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Methyl-2-propanyl 4-bromo-1-naphthoate;
PSA 26.30000
LogP 4.55760

t-Butyl 4-bromo-1-naphthalenecarboxylate Specification

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

Product Name

t-Butyl 4-bromo-1-naphthalenecarboxylate

t-Butyl 4-bromo-1-naphthalenecarboxylate Specification

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