Record Information
Version1.0
Creation date2010-04-08 22:10:39 UTC
Update date2015-07-20 22:58:05 UTC
Primary IDFDB013348
Secondary Accession NumbersNot Available
Chemical Information
FooDB NamePhosphine
DescriptionFumigant for cereals, flour, packaged foods
CAS Number7803-51-2
Structure
Thumb
Synonyms
SynonymSource
[PH3]ChEBI
FosfanoChEBI
FosfinaChEBI
PH3ChEBI
PhosphorwasserstoffChEBI
Hydrogen phosphideHMDB
PhosphaneHMDB
PhospheneHMDB
Phosphorus hydride (PH3)HMDB
Phosphorus trihydrideHMDB
Trihydrogen phosphideHMDB
Hydrogen phosphorus, PH3MeSH
EneHMDB
Hydrogen ideHMDB
Orus hydride (PH3)HMDB
Orus trihydrideHMDB
OrwasserstoffChEBI
Trihydrogen ideHMDB
Predicted Properties
PropertyValueSource
logP-0.68ChemAxon
pKa (Strongest Basic)-5.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity7.6 m³·mol⁻¹ChemAxon
Polarizability2.7 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaH3P
IUPAC namephosphane
InChI IdentifierInChI=1S/H3P/h1H3
InChI KeyXYFCBTPGUUZFHI-UHFFFAOYSA-N
Isomeric SMILESP
Average Molecular Weight33.9976
Monoisotopic Molecular Weight33.997236608
Classification
DescriptionThis compound belongs to the class of inorganic compounds known as homogeneous other non-metal compounds. These are inorganic non-metallic compounds in which the largest atom belongs to the class of 'other non-metals'.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassHomogeneous other non-metal compounds
Sub ClassNot Available
Direct ParentHomogeneous other non-metal compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous other non metal
Molecular FrameworkNot Available
External Descriptors
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionH 8.89%; P 91.11%DFC
Melting PointMp -132.5°DFC
Boiling PointBp -87°DFC
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
Densityd-904 0.75DFC
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-001i-9000000000-88317f9b56fea79262a0View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-9000000000-0ff3e41d21c9c6b5734bView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-9000000000-0ff3e41d21c9c6b5734bView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000i-9000000000-0ff3e41d21c9c6b5734bView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-e5f6a63c9b1574340f61View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-e5f6a63c9b1574340f61View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-e5f6a63c9b1574340f61View in MoNA
ChemSpider ID22814
ChEMBL IDCHEMBL2227836
KEGG Compound IDNot Available
Pubchem Compound ID24404
Pubchem Substance IDNot Available
ChEBI ID30278
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB34790
CRC / DFC (Dictionary of Food Compounds) IDHTK01-Y:HTK01-Y
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDPhosphine
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference