8-Amino-4-oxo-2-tetrazol-5-yl-4H-1-benzopyran
- Iupac Name：8-amino-2-(2H-tetrazol-5-yl)chromen-4-one;hydrochloride
- CAS No.: 110683-23-3
- Molecular Weight：265.6558
- Modify Date.: 2022-11-23 01:47
1. Names and Identifiers
- 1.1 Name
- 8-Amino-4-oxo-2-tetrazol-5-yl-4H-1-benzopyran
- 1.2 Synonyms
4H-1-Benzopyran-4-one, 8-aMino-2- (2H-tetrazol-5-yl)-, hydrochloride 4H-1-Benzopyran-4-one, 8-amino-2-(2H-tetrazol-5-yl)-, hydrochloride (1:1) 4H-1-Benzopyran-4-one,8-amino-2-(2H-tetrazol-5-yl)-,hydrochloride 8-aMino-2-(1,2,3,4-tetrazol-5-yl)-4H-chroMen-4-one hydrochloride 8-Amino-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-4-one, hydrochloride (1:1) 8-amino-2-(1H-tetrazol-5-yl)-4H-1-Benzopyran-4-one, monohydrochloride 8-aMino-2-(1H-tetrazol-5-yl)-4H-chroMen-4-one hydrochloride 8-Amino-2-(1H-tetrazol-5-yl)-4H-chromen-4-one hydrochloride (1:1) 8-amino-2-(2H-1,2,3,4-tetrazol-5-yl)-4H-chromen-4-one hydrochloride 8-Amino-2-(2H-tetrazol-5-yl)-4H-1-benzopyran-4-one hydrochloride 8-Amino-2-(2H-tetrazol-5-yl)-4H-1-benzopyran-4-one hydrochloride
(Pranlukast) 8-Amino-2-(2H-tetrazol-5-yl)-4H-chromen-4-one hydrochloride 8-Amino-2-(5-tetrazolyl)-4-oxo-4(H)-1-benzopyran hydrochloride 8-amino-2-tetrazol-5-yl-4-oxo-4H-1-benzopyran 8-AMINO-4-0X0-2-[1H -TETRAZOLE-5YL ) 4H-1-BENZOPYRAN HYDROCHLORIDE 8-Amino-4-oxo-2-tetrazol-5-yl-4H-1-benzopyran Hydrochloride 8-amino-4-oxo-tetrazol-5-yl-4H-1-benzopyran hydrochloride T66 BO EVJ JZ C- ET5MNNNJ &&HCl4H-1-Benzopyran-4-one, 8-amino-2-(1H-tetrazol-5-yl)-, hydrochloride (1:1)
- 1.3 CAS No.
- 110683-23-3
- 1.4 CID
- 13784051
- 1.5 Molecular Formula
- C10H8ClN5O2 (isomer)
- 1.6 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
- 1.7 InChkey
- QRLFWVLMJYJYCQ-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- C1=CC2=C(C(=C1)N)OC(=CC2=O)C3=NNN=N3.Cl
- 1.9 Isomers Smiles
- C1=CC2=C(C(=C1)N)OC(=CC2=O)C3=NNN=N3.Cl
2. Properties
- 2.1 Boiling point
- 515 °C at 760 mmHg
- 2.1 Flash Point
- 265.2 °C
- 2.1 Precise Quality
- 265.03700
- 2.1 PSA
- 110.69000
- 2.1 logP
- 1.93850
3. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
4. Synthesis Route
110683-23-3Total: 4 Synthesis Route
6. Computational chemical data
- Molecular Weight: 265.6558g/mol
- Molecular Formula: C10H8ClN5O2
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 265.0366522
- Monoisotopic Mass: 265.0366522
- Complexity: 359
- Rotatable Bond Count: 1
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Topological Polar Surface Area: 107
- Heavy Atom Count: 18
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 2
- CACTVS Substructure Key Fingerprint: AAADccBzsAAEAAAAAAAAAAAAAAAAAWAAAAAwQAAAAAAAAACBwAAAHgAYAAAADAyBmwAx1oRCBACqAqZyYASCCAIkIgAcqAEFbNgOJjaEtZuDOWDk8BEI6YecyKCOAAAAQAAIEAAAAACAABAgAAAAAAAAAA==
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