ContaminantDB: Diborane

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-19 01:48:00 UTC

Update Date

2026-08-26 17:08:51 UTC

Accession Number

CHEM004512

Identification

Common Name

Diborane

Class

Small Molecule

Description

Diborane is an inorganic compound with the chemical formula B2 and an average molecular weight of 21.62 g/mol. Diborane belongs to the homogeneous metalloid compounds, a class of homogeneous metal compounds within the inorganic compounds. The substance is found in or released from 16 recorded sources. These sources include electrical and electronic equipment, specifically adjustable resistors, amplifiers, antennas, auxiliary devices, and communication cables or conductors, along with 11 additional types of equipment.

Contaminant Sources

Clean Air Act Chemicals
OSHA Hazardous Chemicals

Contaminant Type

Human Neurotoxin

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
B2	ChEBI
Boron	ChEBI
Diborane	MeSH

Chemical Formula

B₂

Average Molecular Mass

21.620 g/mol

Monoisotopic Mass

22.019 g/mol

CAS Registry Number

19287-45-7

IUPAC Name

boranylidyneborane

Traditional Name

diboron

SMILES

B#B

InChI Identifier

InChI=1S/B2/c1-2

InChI Key

ZOCHARZZJNPSEU-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of inorganic compounds known as homogeneous metalloid compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a metalloid atom.

Kingdom

Inorganic compounds

Super Class

Homogeneous metal compounds

Class

Homogeneous metalloid compounds

Sub Class

Not Available

Direct Parent

Homogeneous metalloid compounds

Alternative Parents

Substituents

Homogeneous metalloid
Inorganic salt
Inorganic metalloid salt

Molecular Framework

Not Available

External Descriptors

diatomic boron (CHEBI:51707 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
logP	2.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	0 m³·mol⁻¹	ChemAxon
Polarizability	3.59 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-00di-9000000000-6ad00d622ad7b0d3cbd3	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-00di-9000000000-6ad00d622ad7b0d3cbd3	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-00di-9000000000-6ad00d622ad7b0d3cbd3	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-00di-9000000000-c83d7c4e3c81750f40d2	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-00di-9000000000-c83d7c4e3c81750f40d2	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-00di-9000000000-c83d7c4e3c81750f40d2	Spectrum

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Not Available

Chemspider ID

Not Available

ChEBI ID

51707

PubChem Compound ID

6328200

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

Diborane (CHEM004512)

Structure for CHEM004512: Diborane