Diphenyl Diselenide

CAS: 1666-13-3 · C12H10Se2

2D Structure

Loading 3D structure...

CAS Registry Number

1666-13-3

SMILES

c1ccc([Se][Se]c2ccccc2)cc1

InChI Key

YWWZCHLUQSHMCL-UHFFFAOYSA-N

InChI

InChI=1S/C12H10Se2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H

Comprehensive physical and chemical properties

Property	Value	Source
Wikipedia Url	https://en.wikipedia.org/wiki/Diphenyl_diselenide	CAS Common Chemistry
Canonical SMILES	[Se]([Se]C=1C=CC=CC1)C=2C=CC=CC2	CAS Common Chemistry
InChI	InChI=1S/C12H10Se2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H	CAS Common Chemistry
InChI Key	InChIKey=YWWZCHLUQSHMCL-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	63.5 °C	CAS Common Chemistry
Name	Diphenyl diselenide	CAS Common Chemistry
Molecular Mass	312.132 g/mol	RDKit
	313.91129292 g/mol	RDKit
Heavy Atom Count	14	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	3	RDKit
Aromatic Ring Count	2	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	0.9607999999999998	RDKit
	0.9608	RDKit
Molar Refractivity	63.660000000000025 cm³/mol	RDKit
Ring Count	2	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	312.13 g/mol	CAS Common Chemistry
Boiling Point	160 °C @ 0.1 Torr	CAS Common Chemistry

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Convert

MW = 312.13 g/mol. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol)