1H-Indole-3-aceticacid, 5-bromo-a-oxo-, ethyl ester supplier

Name
ETHYL 2-(5-BROMO-1H-INDOL-3-YL)-2-OXOACETATE
EINECS
CAS No. 17826-11-8
Article Data6
CAS DataBase
Density 1.591 g/cm³
Solubility
Melting Point 248-249 °C
Formula C₁₂H₁₀BrNO₃
Boiling Point 441 °C at 760 mmHg
Molecular Weight 296.12
Flash Point 220.5 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms Indole-3-glyoxylicacid, 5-bromo-, ethyl ester (8CI);Ethyl 2-(5-bromo-1h-indol-3-yl)-2-oxoacetate;Ethyl (5-bromo-1H-indol-3-yl)oxoacetate;
PSA 59.16000
LogP 2.67620

1H-Indole-3-aceticacid, 5-bromo-a-oxo-, ethyl ester Specification

The CAS register number of 1H-Indole-3-aceticacid, 5-bromo-a-oxo-, ethyl ester is 17826-11-8. It also can be called as Ethyl (5-bromo-1H-indol-3-yl)oxoacetate and the IUPAC name about this chemical is ethyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate. The molecular formula about this chemical is C₁₂H₁₀BrNO₃ and the molecular weight is 296.12. This chemical is irritant and it may cause inflammation to the skin or other mucous membranes.

Physical properties about 1H-Indole-3-aceticacid, 5-bromo-a-oxo-, ethyl ester are: (1)ACD/LogP: 2.58; (2)ACD/LogD (pH 5.5): 2.58; (3)ACD/LogD (pH 7.4): 2.58; (4)ACD/BCF (pH 5.5): 54.01; (5)ACD/BCF (pH 7.4): 54.01; (6)ACD/KOC (pH 5.5): 604.96; (7)ACD/KOC (pH 7.4): 604.96; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 48.3 Å²; (12)Index of Refraction: 1.642; (13)Molar Refractivity: 67.28 cm³; (14)Molar Volume: 186 cm³; (15)Polarizability: 26.67x10^-24cm³; (16)Surface Tension: 56.7 dyne/cm; (17)Density: 1.591 g/cm³; (18)Flash Point: 220.5 °C; (19)Enthalpy of Vaporization: 69.83 kJ/mol; (20)Boiling Point: 441 °C at 760 mmHg; (21)Vapour Pressure: 5.61E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(=O)c2c1cc(Br)ccc1nc2
(2)InChI: InChI=1/C12H10BrNO3/c1-2-17-12(16)11(15)9-6-14-10-4-3-7(13)5-8(9)10/h3-6,14H,2H2,1H3
(3)InChIKey: BUQBKBPIDKCCOZ-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C12H10BrNO3/c1-2-17-12(16)11(15)9-6-14-10-4-3-7(13)5-8(9)10/h3-6,14H,2H2,1H3
(5)Std. InChIKey: BUQBKBPIDKCCOZ-UHFFFAOYSA-N

Product Name

ETHYL 2-(5-BROMO-1H-INDOL-3-YL)-2-OXOACETATE

1H-Indole-3-aceticacid, 5-bromo-a-oxo-, ethyl ester Specification

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