Dibromomethane

CAS: 74-95-3 · CH2Br2

2D Structure

Loading 3D structure...

CAS Registry Number

74-95-3

SMILES

BrCBr

InChI Key

FJBFPHVGVWTDIP-UHFFFAOYSA-N

InChI

InChI=1S/CH2Br2/c2-1-3/h1H2

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	173.83 g/mol	CAS Common Chemistry
	173.83499999999998 g/mol	RDKit
	173.835 g/mol	RDKit
Density	2.50 g/cm³	CAS Common Chemistry
	2.4969 g/cm3 @ 20 °C	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Dibromomethane	CAS Common Chemistry
Boiling Point	97 °C	CAS Common Chemistry
Canonical SMILES	BrCBr	CAS Common Chemistry
InChI	InChI=1S/CH2Br2/c2-1-3/h1H2	CAS Common Chemistry
InChI Key	InChIKey=FJBFPHVGVWTDIP-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	-52.5 °C	CAS Common Chemistry
Name	Dibromomethane	CAS Common Chemistry
Heavy Atom Count	3	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	1.7337	RDKit
Molar Refractivity	22.720999999999997 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	1.0	RDKit
Exact Mass	171.852324264 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 = 173.83 g/mol; density = 2.500 g/mL. Edit any field — others recompute live.

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