8-Amino-4-oxo-2-tetrazol-5-yl-4H-1-benzopyran Hydrochloride supplier

Name
8-Amino-4-oxo-2-tetrazol-5-yl-4H-1-benzopyran
EINECS
CAS No. 110683-23-3
Density
Solubility
Melting Point
Formula C₁₀H₈ClN₅O₂
Boiling Point 515 °C at 760 mmHg
Molecular Weight 265.659
Flash Point 265.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 8-Amino-4-oxo-2-tetrazol-5-yl-4H-1-benzopyran Hydrochloride
PSA 110.69000
LogP 1.93850

8-Amino-4-oxo-2-tetrazol-5-yl-4H-1-benzopyran Hydrochloride Specification

The 8-Amino-4-oxo-2-tetrazol-5-yl-4H-1-benzopyran Hydrochloride is an organic compound with the formula C₁₀H₈ClN₅O₂. The systematic name of this chemical is 8-amino-2-(1H-tetrazol-5-yl)-4H-chromen-4-one hydrochloride. With the CAS registry number 110683-23-3, it is also named as 4H-1-Benzopyran-4-one, 8-amino-2-(1H-tetrazol-5-yl)-, hydrochloride (1:1).

Physical properties about 8-Amino-4-oxo-2-tetrazol-5-yl-4H-1-benzopyran Hydrochloride are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 3.41; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 7; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 106.78 Å²; (9)Flash Point: 265.2 °C; (10)Enthalpy of Vaporization: 80.16 kJ/mol; (11)Boiling Point: 515 °C at 760 mmHg; (12)Vapour Pressure: 5.7E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Nc3cccc1c3O/C(=C\C1=O)c2nnnn2
(2)InChI: InChI=1/C10H7N5O2.ClH/c11-6-3-1-2-5-7(16)4-8(17-9(5)6)10-12-14-15-13-10;/h1-4H,11H2,(H,12,13,14,15);1H
(3)InChIKey: QRLFWVLMJYJYCQ-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C10H7N5O2.ClH/c11-6-3-1-2-5-7(16)4-8(17-9(5)6)10-12-14-15-13-10;/h1-4H,11H2,(H,12,13,14,15);1H
(5)Std. InChIKey: QRLFWVLMJYJYCQ-UHFFFAOYSA-N

Product Name

8-Amino-4-oxo-2-tetrazol-5-yl-4H-1-benzopyran

8-Amino-4-oxo-2-tetrazol-5-yl-4H-1-benzopyran Hydrochloride Specification

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