CAS No.182344-70-3,TERT-BUTYL 5-BROMOINDOLE-1-CARBOXYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	182344-70-3
Name:	TERT-BUTYL 5-BROMOINDOLE-1-CARBOXYLATE

Formula:	C₁₃H₁₄BrNO₂
Molecular Weight:	296.164
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;
Density:	1.37 g/cm³
Melting Point:	56-57 °C(lit.)
Boiling Point:	367.9 °C at 760 mmHg
Flash Point:	176.3 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	31.23000
LogP:	4.18700

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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