ContaminantDB: Phenylhydrazine hydrochloride

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References Targets (25)XML

Record Information

Version

1.0

Creation Date

2016-05-19 01:31:06 UTC

Update Date

2026-08-23 14:55:12 UTC

Accession Number

CHEM003974

Identification

Common Name

Phenylhydrazine hydrochloride

Class

Small Molecule

Description

Phenylhydrazine hydrochloride is an organic compound with the chemical formula C6H8N2 and an average molecular weight of 108.14 g/mol. Phenylhydrazine hydrochloride belongs to the phenylhydrazines, a subclass of benzene and substituted derivatives within the organic compounds. It is further classified under the superclass of benzenoids. This compound is found in or released from 22 recorded sources across several categories. Within electrical and electronic equipment, it is associated with antennas, conductors or conductive bodies characterised by the conductive materials, discharge lamps, electric switches, and electrically stimulated smoking devices, among four other sources. In the realm of food, food processing and cookware, it is linked to fermentation processes for beer, food preservation, the preparation of malt, the preparation of vinegar, the preparation of wort, and one additional source. Furthermore, phenylhydrazine hydrochloride is identified in household cleaning and consumer products, specifically in bleaching agents, non electric simulated smoking devices, perfumes within detergents and soaps, pipe accessories, soap detergents, and one other source. Finally, it is recorded in building and construction materials, specifically in fencing.

Contaminant Sources

Clean Air Act Chemicals
FooDB Chemicals
HPV EPA Chemicals
STOFF IDENT Compounds
ToxCast & Tox21 Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
1-PHENYLHYDRAZINE	ChEBI
Hydrazinobenzene	ChEBI
Hydrazobenzene	ChEBI
Monophenylhydrazine	ChEBI
Phenyldiazane	ChEBI
Phenylhydrazin	ChEBI
PHNHNH2	ChEBI
Phenylhydrazide	MeSH
Phenylhydrazine hydrochloride	MeSH
Phenylhydrazine monohydrochloride	MeSH
Phenylhydrazine monosulfate	MeSH

Chemical Formula

C₆H₈N₂

Average Molecular Mass

108.141 g/mol

Monoisotopic Mass

108.069 g/mol

CAS Registry Number

59-88-1

IUPAC Name

phenylhydrazine

Traditional Name

phenylhydrazine

SMILES

NNC1=CC=CC=C1

InChI Identifier

InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2

InChI Key

HKOOXMFOFWEVGF-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as phenylhydrazines. Phenylhydrazines are compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl group.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Phenylhydrazines

Direct Parent

Phenylhydrazines

Alternative Parents

Substituents

Phenylhydrazine
Organic nitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Organonitrogen compound
Hydrazine derivative
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

phenylhydrazines (CHEBI:27924 )
a small molecule (PHENYLHYDRAZINE )

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
Water Solubility	64.6 g/L	ALOGPS
logP	0.95	ALOGPS
logP	1.36	ChemAxon
logS	-0.22	ALOGPS
pKa (Strongest Basic)	5.35	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	38.05 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	35.76 m³·mol⁻¹	ChemAxon
Polarizability	11.74 Å³	ChemAxon
Number of Rings	1	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 GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0a4i-9600000000-b78ed4739c4f313d68f5	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0a4i-0900000000-7e4a039ac643774eff4e	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0a4i-5900000000-cdf25c62f80acbfd5ab9	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-014l-9000000000-fb55020d3202a0992e0e	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-4900000000-c58b776073e02f120c76	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0a4i-3900000000-1b3e9a8ecb3130f4a885	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-056u-9100000000-36873e8e35cb75411c7a	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum