Carbon Tetrabromide

CAS: 558-13-4 · CBr4

2D Structure

Loading 3D structure...

CAS Registry Number

558-13-4

SMILES

BrC(Br)(Br)Br

InChI Key

HJUGFYREWKUQJT-UHFFFAOYSA-N

InChI

InChI=1S/CBr4/c2-1(3,4)5

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	331.63 g/mol	CAS Common Chemistry
	331.62699999999995 g/mol	RDKit
	331.627 g/mol	RDKit
Density	2.96 g/cm³	CAS Common Chemistry
	2.9608 g/cm3 @ 100 °C	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Carbon_tetrabromide	CAS Common Chemistry
Boiling Point	189.5 °C	CAS Common Chemistry
Canonical SMILES	BrC(Br)(Br)Br	CAS Common Chemistry
InChI	InChI=1S/CBr4/c2-1(3,4)5	CAS Common Chemistry
InChI Key	InChIKey=HJUGFYREWKUQJT-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	90.1 °C	CAS Common Chemistry
Name	Carbon tetrabromide	CAS Common Chemistry
Heavy Atom Count	5	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	3.1773000000000002	RDKit
	3.1773	RDKit
Molar Refractivity	38.439 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	1.0	RDKit
Exact Mass	327.6733484 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 = 331.63 g/mol; density = 2.960 g/mL. Edit any field — others recompute live.

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