Bromine Monochloride

CAS: 13863-41-7 · BrCl

2D Structure

Loading 3D structure...

CAS Registry Number

13863-41-7

SMILES

ClBr

InChI Key

CODNYICXDISAEA-UHFFFAOYSA-N

InChI

InChI=1S/BrCl/c1-2

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	115.36 g/mol	CAS Common Chemistry
	115.357 g/mol	RDKit
	115.354 g/mol	chempirical lib
Wikipedia Url	https://en.wikipedia.org/wiki/Bromine_monochloride	CAS Common Chemistry
Canonical SMILES	ClBr	CAS Common Chemistry
InChI	InChI=1S/BrCl/c1-2	CAS Common Chemistry
InChI Key	InChIKey=CODNYICXDISAEA-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	158 °C	CAS Common Chemistry
Name	Bromine chloride (BrCl)	CAS Common Chemistry
Heavy Atom Count	2	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	1.5351	RDKit
	1.57	chempirical lib
Molar Refractivity	14.78 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	113.88718978 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 = 115.36 g/mol. Edit any field — others recompute live.

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