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38404-93-2

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Basic Information
CAS No.: 38404-93-2
Name: 5-Bromo-4-chloro-3-indolylphosphate
Molecular Structure:
Molecular Structure of 38404-93-2 (5-Bromo-4-chloro-3-indolylphosphate)
Formula: C8H6BrClNO4P
Molecular Weight: 326.471
Synonyms: 5-Bromo-4-chloro-3-indolylphosphate;(5-bromo-4-chloro-1H-indol-3-yl)oxyphosphonic acid;1H-Indol-3-ol,5-bromo-4-chloro-,dihydrogen phosphate (ester);5-Bromo-4-chloro-3-indoxyl phosphate;5-Bcip;1H-Indol-3-ol, 5-bromo-4-chloro-, dihydrogen phosphate (ester);
Density: 2.083 g/cm3
Boiling Point: 580.2 °C at 760 mmHg
Flash Point: 304.7 °C
PSA: 92.36000
LogP: 3.05530
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Specification

The 5-Bromo-4-chloro-3-indolyl phosphate is an organic compound with the formula C8H6BrClNO4P. The IUPAC name of this chemical is (5-bromo-4-chloro-1H-indol-3-yl) dihydrogen phosphate. With the CAS registry number 38404-93-2, it is also named as 1H-indol-3-ol, 5-bromo-4-chloro-, dihydrogen phosphate (ester). Besides, it is a chemical compound used in immunoblotting, in situ hybridization, and immunohistochemistry, with nitro blue tetrazolium chloride, for sensitive colorimetric detection of alkaline phosphatase.

Physical properties about 5-Bromo-4-chloro-3-indolyl phosphate are: (1)ACD/LogP: 1.47; (2)ACD/LogD (pH 5.5): -2.05; (3)ACD/LogD (pH 7.4): -2.88; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 59.5 Å2; (12)Index of Refraction: 1.738; (13)Molar Refractivity: 63.1 cm3; (14)Molar Volume: 156.6 cm3; (15)Polarizability: 25.01×10-24cm3; (16)Surface Tension: 87.7 dyne/cm; (17)Density: 2.083 g/cm3; (18)Flash Point: 304.7 °C; (19)Enthalpy of Vaporization: 91.3 kJ/mol; (20)Boiling Point: 580.2 °C at 760 mmHg; (21)Vapour Pressure: 2.65E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2c(c1Cl)c(OP(=O)(O)O)cn2
(2)InChI: InChI=1/C8H6BrClNO4P/c9-4-1-2-5-7(8(4)10)6(3-11-5)15-16(12,13)14/h1-3,11H,(H2,12,13,14)
(3)InChIKey: QRXMUCSWCMTJGU-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H6BrClNO4P/c9-4-1-2-5-7(8(4)10)6(3-11-5)15-16(12,13)14/h1-3,11H,(H2,12,13,14)
(5)Std. InChIKey: QRXMUCSWCMTJGU-UHFFFAOYSA-N