1H-Indole-1-carboxylicacid, 7-bromo-, 1,1-dimethylethyl ester supplier

Name
7-Bromo-1H-indole, N-BOC protected
EINECS
CAS No. 868561-17-5
Article Data6
CAS DataBase
Density 1.37 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₄BrNO₂
Boiling Point 367.9 °C at 760 mmHg
Molecular Weight 296.164
Flash Point 176.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 7-Bromoindole-1-carboxylicacid tert-butyl ester;
PSA 31.23000
LogP 4.18700

1H-Indole-1-carboxylicacid, 7-bromo-, 1,1-dimethylethyl ester Specification

The 1H-Indole-1-carboxylicacid, 7-bromo-, 1,1-dimethylethyl ester is an organic compound with the formula C₁₃H₁₄BrNO₂. The systematic name of this chemical is tert-butyl 7-bromoindole-1-carboxylate. With the CAS registry number 868561-17-5, it is also named as 1-BOC-7-bromoindole. The product's categories are Blocks; Bromides; IndolesOxindoles.

Physical properties about 1H-Indole-1-carboxylicacid, 7-bromo-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 4.63; (2)ACD/LogD (pH 5.5): 4.63; (3)ACD/LogD (pH 7.4): 4.63; (4)#H bond acceptors: 3; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 31.23 Å²; (7)Index of Refraction: 1.576; (8)Molar Refractivity: 71.08 cm³; (9)Molar Volume: 214.7 cm³; (10)Polarizability: 28.18×10^-24cm³; (11)Surface Tension: 40.4 dyne/cm; (12)Density: 1.37 g/cm³; (13)Flash Point: 176.3 °C; (14)Enthalpy of Vaporization: 61.44 kJ/mol; (15)Boiling Point: 367.9 °C at 760 mmHg; (16)Vapour Pressure: 1.33E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)n1ccc2c1c(ccc2)Br
(2)InChI: InChI=1/C13H14BrNO2/c1-13(2,3)17-12(16)15-8-7-9-5-4-6-10(14)11(9)15/h4-8H,1-3H3
(3)InChIKey: QKTLZTNNVUGEOY-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C13H14BrNO2/c1-13(2,3)17-12(16)15-8-7-9-5-4-6-10(14)11(9)15/h4-8H,1-3H3
(5)Std. InChIKey: QKTLZTNNVUGEOY-UHFFFAOYSA-N

Product Name

7-Bromo-1H-indole, N-BOC protected

1H-Indole-1-carboxylicacid, 7-bromo-, 1,1-dimethylethyl ester Specification

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