2-(7-(Diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-1,3-dimethyl-1H- supplier

Name
2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazole trichlorozincate
EINECS 258-493-5
CAS No. 53350-83-7
Density
Solubility
Melting Point
Formula C₂₂H₂₅Cl₃N₃O₂Zn^-
Boiling Point 561.1 °C at 760 mmHg
Molecular Weight 535.2018
Flash Point 293.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Benzimidazolium, 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-1,3-dimethyl-, trichlorozincate(1-);
PSA 39.93000
LogP -4.63650

2-(7-(Diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-1,3-dimethyl-1H- Specification

The 2-(7-(Diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-1,3-dimethyl-1H-benzimidazole trichlorozincate, with the CAS registry number of 53350-83-7, is also known as 1H-Benzimidazolium, 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-1,3-dimethyl-, trichlorozincate(1-). It belongs to the product category of Organic-metal salt. Its EINECS registry number is 258-493-5. Its molecular formula is C₂₂H₂₅Cl₃N₃O₂Zn^- and molecular weight is 535.2018. What's more, its IUPAC name is Zinc 7-(diethylamino)-3-(1,3-dimethyl-2H-benzimidazol-2-yl)chromen-2-one trichloride.

Physical properties about the 2-(7-(Diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-1,3-dimethyl-1H-benzimidazole trichlorozincate are: (1)ACD/LogP: 4.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.73; (4)ACD/LogD (pH 7.4): 4.82; (5)ACD/BCF (pH 5.5): 2205.41; (6)ACD/BCF (pH 7.4): 2728.43; (7)ACD/KOC (pH 5.5): 8095.15; (8)ACD/KOC (pH 7.4): 10014.94; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 36.02 Å²; (13)Flash Point: 293.2 °C; (14)Enthalpy of Vaporization: 84.39 kJ/mol; (15)Boiling Point: 561.1 °C at 760 mmHg; (16)Vapour Pressure: 1.28E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [Zn+2].[Cl-].[Cl-].[Cl-].O=C/2Oc1cc(ccc1\C=C\2C4N(c3ccccc3N4C)C)N(CC)CC
(2) InChI: InChI=1/C22H25N3O2.3ClH.Zn/c1-5-25(6-2)16-12-11-15-13-17(22(26)27-20(15)14-16)21-23(3)18-9-7-8-10-19(18)24(21)4;;;;/h7-14,21H,5-6H2,1-4H3;3*1H;/q;;;;+2/p-3
(3) InChIKey: DYQABTKJBUEGLG-DFZHHIFOAP

Product Name

2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazole trichlorozincate

2-(7-(Diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-1,3-dimethyl-1H- Specification

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