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N-Boc-5-bromoindole

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Name

N-Boc-5-bromoindole

EINECS N/A
CAS No. 182344-70-3 Density 1.37 g/cm3
PSA 31.23000 LogP 4.18700
Solubility N/A Melting Point 56-57 °C(lit.)
Formula C13H14BrNO2 Boiling Point 367.9 °C at 760 mmHg
Molecular Weight 296.164 Flash Point 176.3 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 182344-70-3 (TERT-BUTYL 5-BROMOINDOLE-1-CARBOXYLATE) Hazard Symbols IrritantXi
Synonyms

1-tert-Butoxycarbonyl-5-bromo-1H-indole;5-Bromo-1-tert.-butoxycarbonylindole;5-Bromoindole-1-carboxylic acidtert-butyl ester;N-(tert-Butoxycarbonyl)-5-bromoindole;N-Boc-5-bromoindole;tert-Butyl 5-bromo-1H-indole-1-carboxylate;tert-Butyl5-bromoindole-1-carboxylate;

 

N-Boc-5-bromoindole Specification

The CAS register number of N-Boc-5-bromoindole is 182344-70-3. It also can be called as 1H-Indole-1-carboxylicacid, 5-bromo-, 1,1-dimethylethyl ester and the IUPAC name about this chemical is tert-butyl 5-bromoindole-1-carboxylate. The molecular formula about this chemical is C13H14BrNO2 and the molecular weight is 296.16. It belongs to the following product categories which include Halides; Pyrroles & Indoles; Indole; Pyrroles & Indoles and so on.

Physical properties about N-Boc-5-bromoindole are: (1)ACD/LogP: 4.63; (2)ACD/LogD (pH 5.5): 4.63; (3)ACD/LogD (pH 7.4): 4.63; (4)ACD/BCF (pH 5.5): 1957.92; (5)ACD/BCF (pH 7.4): 1957.92; (6)ACD/KOC (pH 5.5): 7904.3; (7)ACD/KOC (pH 7.4): 7904.3; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 31.23Å2; (11)Index of Refraction: 1.576; (12)Molar Refractivity: 71.08 cm3; (13)Molar Volume: 214.7 cm3; (14)Polarizability: 28.18x10-24cm3; (15)Surface Tension: 40.4 dyne/cm; (16)Flash Point: 176.3 °C; (17)Enthalpy of Vaporization: 61.44 kJ/mol; (18)Boiling Point: 367.9 °C at 760 mmHg; (19)Vapour Pressure: 1.33E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)n2c1ccc(Br)cc1cc2
(2)InChI: InChI=1/C13H14BrNO2/c1-13(2,3)17-12(16)15-7-6-9-8-10(14)4-5-11(9)15/h4-8H,1-3H3
(3)InChIKey: PBWDRTGTQIXVBR-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C13H14BrNO2/c1-13(2,3)17-12(16)15-7-6-9-8-10(14)4-5-11(9)15/h4-8H,1-3H3
(5)Std. InChIKey: PBWDRTGTQIXVBR-UHFFFAOYSA-N

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