Cyanogen Iodide

CAS: 506-78-5 · CIN

2D Structure

Loading 3D structure...

CAS Registry Number

506-78-5

SMILES

N#CI

InChI Key

WPBXOELOQKLBDF-UHFFFAOYSA-N

InChI

InChI=1S/CIN/c2-1-3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	152.92 g/mol	CAS Common Chemistry
	152.922 g/mol	RDKit
Density	2.84 g/cm³	CAS Common Chemistry
	2.84 g/cm3 @ 18 °C	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Cyanogen_iodide	CAS Common Chemistry
Canonical SMILES	N#CI	CAS Common Chemistry
InChI	InChI=1S/CIN/c2-1-3	CAS Common Chemistry
InChI Key	InChIKey=WPBXOELOQKLBDF-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	148 °C	CAS Common Chemistry
Name	Iodine cyanide	CAS Common Chemistry
Heavy Atom Count	3	RDKit
Hydrogen Bond Acceptors	1	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	23.79 Å²	RDKit
LogP	0.9024800000000001	RDKit
	0.9025	RDKit
Molar Refractivity	19.633 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	152.907547 g/mol	RDKit

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 = 152.92 g/mol; density = 2.840 g/mL. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol) Volume (mL)