2,1,3-Benzoselenadiazole

C₆H₄N₂SeCAS 273-15-4183.08 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₄N₂Se
Molar mass: 183.08 g/mol
Exact mass: 183.9540 Da
Melting point: 75 °C
logP: 0.69Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H331 Toxic if inhaled100% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers
H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P273, P301+P316, P304+P340, P316, P319, P321, P330, P391, P403+P233, P405, P501

Identifiers

CAS number

273-15-4

SMILES

c1ccc2n[se]nc2c1

InChIKey

AYTPIVIDHMVGSX-UHFFFAOYSA-N

InChI

InChI=1S/C6H4N2Se/c1-2-4-6-5(3-1)7-9-8-6/h1-4H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Phenylpiazselenole
Piaselenole
Piazselenol
Piazselenole
2-Selena-1,3-diaza-2H-isoindene
3,4-Benzo-1,2,5-selenadiazole
NSC 408467

Work with 2,1,3-Benzoselenadiazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phenazine92-82-047 % similar Quinoxaline91-19-042 % similar Benzo[c]cinnoline230-17-140 % similar 2,1,3-Benzoxadiazole273-09-640 % similar 2,1,3-Benzothiadiazole273-13-240 % similar 2,3-Dichloroquinoxaline2213-63-036 % similar 2,3-Dimethylquinoxaline2379-55-736 % similar Acridine260-94-636 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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