CAS No.3252-36-6,5-BROMO-4-CHLORO-3-INDOLYL ACETATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3252-36-6
Name:	5-BROMO-4-CHLORO-3-INDOLYL ACETATE

Formula:	C₁₀H₇BrClNO₂
Molecular Weight:	288.528
Synonyms:	1H-Indol-3-ol,5-bromo-4-chloro-, acetate (ester) (9CI);Indol-3-ol, 5-bromo-4-chloro-,acetate (7CI);Indol-3-ol, 5-bromo-4-chloro-, acetate (ester) (8CI);Indoxyl,5-bromo-4-chloro-, acetate (6CI);5-Bromo-4-chloro-3-indolyl acetate;5-Bromo-4-chloro-3-indoxyl acetate;5-Bromo-4-chloroindoxyl acetate;
Density:	1.721 g/cm³
Melting Point:	106-107℃
Boiling Point:	429.3 °C at 760 mmHg
Flash Point:	213.4 °C
Hazard Symbols:	Xi
Safety:	24/25
PSA:	42.09000
LogP:	3.50910

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Specification

The 1H-Indol-3-ol,5-bromo-4-chloro-, 3-acetate, with the CAS registry number 3252-36-6, is also known as BCDA. It belongs to the product categories of Enzyme Substrates; Esterase; Substrates by Enzyme. This chemical's molecular formula is C₁₀H₇BrClNO₂ and molecular weight is 288.53. Its IUPAC name is called (5-bromo-4-chloro-1H-indol-3-yl) acetate. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of 1H-Indol-3-ol,5-bromo-4-chloro-, 3-acetate: (1)ACD/LogP: 3.37; (2)ACD/LogD (pH 5.5): 3.37; (3)ACD/LogD (pH 7.4): 3.37; (4)ACD/BCF (pH 5.5): 215.15; (5)ACD/BCF (pH 7.4): 215.15; (6)ACD/KOC (pH 5.5): 1627.01; (7)ACD/KOC (pH 7.4): 1627.01; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.667; (12)Molar Refractivity: 62.45 cm³; (13)Molar Volume: 167.6 cm³; (14)Surface Tension: 56 dyne/cm; (15)Density: 1.721 g/cm³; (16)Flash Point: 213.4 °C; (17)Enthalpy of Vaporization: 68.45 kJ/mol; (18)Boiling Point: 429.3 °C at 760 mmHg; (19)Vapour Pressure: 1.42E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)OC1=CNC2=C1C(=C(C=C2)Br)Cl
(2)InChI: InChI=1S/C10H7BrClNO2/c1-5(14)15-8-4-13-7-3-2-6(11)10(12)9(7)8/h2-4,13H,1H3
(3)InChIKey: WPWLFFMSSOAORQ-UHFFFAOYSA-N