CAS No.3318-43-2,3-INDOXYL PHOSPHATE DISODIUM SALT Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3318-43-2
Name:	3-INDOXYL PHOSPHATE DISODIUM SALT

Formula:	C₈H₈NO₄P·2Na
Molecular Weight:	257.09
Synonyms:	1H-Indol-3-ol,dihydrogen phosphate (ester), disodium salt (9CI);Indol-3-ol, dihydrogen phosphate(ester), disodium salt (8CI);Indol-3-yl sodium phosphate (7CI);3-Indolylphosphate disodium salt;3-Indoxyl phosphate disodium salt;Disodium 1H-indol-3-yl phosphate;
EINECS:	222-014-8
Melting Point:	>180 °C
Boiling Point:	503.6 °C at 760 mmHg
Flash Point:	258.3 °C
Solubility:	H₂O: 50 mg/mL, nearly clear, colorless to very faintly yellow
Appearance:	off-white powder
Safety:	24/25
PSA:	98.02000
LogP:	2.51580

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Specification

The 1H-Indol-3-ol,3-(dihydrogen phosphate), sodium salt (1:2), with the CAS registry number 3318-43-2, is also known as Indoxylphosphate, disodium salt. It belongs to the product category of Miscellaneous Reagents. Its EINECS number is 222-014-8. This chemical's molecular formula is C₈H₈NO₄P·2Na and molecular weight is 257.09. What's more, its systematic name is disodium 1H-indol-3-yl phosphate. It is stable at common pressure and temperature, and it should be sealed and stored below the temperature of 0 °C. When using it, you should avoid contact with skin and eyes.

Physical properties of 1H-Indol-3-ol,3-(dihydrogen phosphate), sodium salt (1:2) are: (1)ACD/LogP: 0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.35; (4)ACD/LogD (pH 7.4): -4.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 81.5 Å²; (13)Flash Point: 258.3 °C; (14)Enthalpy of Vaporization: 81.38 kJ/mol; (15)Boiling Point: 503.6 °C at 760 mmHg; (16)Vapour Pressure: 5.82E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)OP(=O)([O-])[O-].[Na+].[Na+]
(2)InChI: InChI=1S/C8H8NO4P.2Na/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8;;/h1-5,9H,(H2,10,11,12);;/q;2*+1/p-2
(3)InChIKey: WCSKWBKPKXJWEG-UHFFFAOYSA-L