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Record Information
Version1.0
Creation Date2016-05-19 01:31:06 UTC
Update Date2016-11-09 01:09:15 UTC
Accession NumberCHEM003974
Identification
Common NamePhenylhydrazine hydrochloride
ClassSmall Molecule
DescriptionPhenylhydrazine is the chemical compound with the formula C6H5NHNH2. Organic chemists abbreviate the compound as PhNHNH2.
Contaminant Sources
  • Clean Air Act Chemicals
  • FooDB Chemicals
  • HPV EPA Chemicals
  • STOFF IDENT Compounds
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
1-PHENYLHYDRAZINEChEBI
HydrazinobenzeneChEBI
HydrazobenzeneChEBI
MonophenylhydrazineChEBI
PhenyldiazaneChEBI
PhenylhydrazinChEBI
Chemical FormulaC6H8N2
Average Molecular Mass108.141 g/mol
Monoisotopic Mass108.069 g/mol
CAS Registry Number59-88-1
IUPAC Namephenylhydrazine
Traditional Namephenylhydrazine
SMILESNNC1=CC=CC=C1
InChI IdentifierInChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2
InChI KeyHKOOXMFOFWEVGF-UHFFFAOYSA-N
Chemical Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as phenylhydrazines. These are compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl group.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassPhenylhydrazines
Direct ParentPhenylhydrazines
Alternative Parents
Substituents
  • Phenylhydrazine
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Hydrazine derivative
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility64.6 mg/mLALOGPS
logP0.95ALOGPS
logP1.36ChemAxon
logS-0.22ALOGPS
pKa (Strongest Basic)5.35ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area38.05 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity35.76 m3·mol-1ChemAxon
Polarizability11.74 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, NegativeNot Available
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDFDB005892
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDPHENYLHYDRAZINE
METLIN IDNot Available
PDB IDPHZ
Wikipedia LinkPhenylhydrazine
Chemspider ID7235
ChEBI ID27924
PubChem Compound ID7516
Kegg Compound IDC02304
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. wikipedia entry Phenylhydrazine: Phenylhydrazine
2. RUKL V (1953) Phenylhydrazine poisoning. Pracovní lékar̆stvi;Prac Lek;1953 Nov;5(5):272-4 (PMID: 13133869)
3. Pastorini C, Gaetani G (1968) The phenylhydrazine anemia. Haematologica Latina;Haematol Lat;1968 Jul-Sep;11(3):293-7 (PMID: 5716302)
4. Cucchi C, Baruffaldi A (1988) Phenylhydrazine as mitoticostimulant. Bollettino della Società italiana di biologia sperimentale;Boll. Soc. Ital. Biol. Sper.;1988 May;64(5):419-23 (PMID: 3179023)
5. East T (1930) Polycythæmia Vera Treated with Phenylhydrazine. Proceedings of the Royal Society of Medicine;Proc. R. Soc. Med.;1930 Feb;23(4):428-9 (PMID: 20911759)
6. LESPAGNOL A, BAR D, ROBELET A, MIZON-CAPRON C, BIZARD J (1964) DIURETIC ACTIVITY OF PHENYLHYDRAZINE SULFONAMIDES. Thérapie;Therapie;1964 Sep-Oct;19:1423-38 (PMID: 14227801)
7. Schuckmann F (1969) Various forms of phenylhydrazine poisoning. Zentralblatt für Arbeitsmedizin und Arbeitsschutz;Zentralbl Arbeitsmed;1969 Nov;19(11):338-41 (PMID: 5386136)
8. Murty NK, Rao VJ, Rao NV (1984) Detection and determination of phenylhydrazine. Talanta;Talanta;1984 Jun;31(6):466 (PMID: 18963630)
9. East T (1930) Polycythaemia Vera Treated with Phenylhydrazine. Proceedings of the Royal Society of Medicine;Proc. R. Soc. Med.;1930 Feb;23(4):428-9 (PMID: 19987362)
10. Tunç T, Tezcan H, Sari M, Büyükgüngör O, Yagbasan R (2003) N-(4-nitrobenzylidene)-N'-phenylhydrazine. Acta crystallographica. Section C, Crystal structure communications;Acta Crystallogr C;2003 Sep;59(Pt 9):o528-9 (PMID: 12944667)