Record Information
Version1.0
Creation date2010-04-08 22:10:41 UTC
Update date2015-07-20 22:58:35 UTC
Primary IDFDB013386
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameNitrosyl chloride ((NO)Cl)
DescriptionNitrosyl chloride ((NO)Cl) belongs to the class of inorganic compounds known as halogen oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a halogen. Based on a literature review very few articles have been published on Nitrosyl chloride ((NO)Cl).
CAS Number2696-92-6
Structure
Thumb
Synonyms
SynonymSource
Nitrogen chloride oxide (nocl)HMDB
Nitrogen oxide chloride (nocl)HMDB
Nitrogen oxychlorideHMDB
Nitrogen oxychloride (nocl)HMDB
Nitrosonium chlorideHMDB
Nitrosyl chlorideHMDB
NOCLHMDB, MeSH
ONCLHMDB
Nitrosyl chloride ((no)CL)biospider
Nitrosyl chloride [UN1069] [Poison gas]biospider
Predicted PropertiesNot Available
Chemical FormulaClNO
IUPAC name
InChI IdentifierInChI=1S/ClNO/c1-2-3
InChI KeyVPCDQGACGWYTMC-UHFFFAOYSA-N
Isomeric SMILESClN=O
Average Molecular Weight65.459
Monoisotopic Molecular Weight64.966841334
Classification
Description Belongs to the class of inorganic compounds known as halogen oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a halogen.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassHalogen organides
Sub ClassHalogen oxides
Direct ParentHalogen oxides
Alternative Parents
Substituents
  • Halogen oxide
  • Inorganic oxide
Molecular FrameworkNot Available
External DescriptorsNot Available
Ontology
Disposition

Source:

Role

Biological role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionCl 54.16%; N 21.40%; O 24.44%DFC
Melting PointMp -61.5°DFC
Boiling PointBp -6.4°DFC
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
Densityd-12 1.42DFC
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MSNitrosyl chloride ((NO)Cl), non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-03di-9000000000-705c007c9d270f614401Spectrum
Predicted GC-MSNitrosyl chloride ((NO)Cl), non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-9000000000-633c1089d3335867a0ce2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014i-9000000000-633c1089d3335867a0ce2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014i-9000000000-633c1089d3335867a0ce2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-9000000000-a4326e9e735163e3e9292016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-9000000000-a4326e9e735163e3e9292016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-9000000000-a4326e9e735163e3e9292016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-9000000000-89bdf92e0c0a30f674ce2021-09-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014i-9000000000-89bdf92e0c0a30f674ce2021-09-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014i-9000000000-89bdf92e0c0a30f674ce2021-09-23View Spectrum
NMRNot Available
ChemSpider ID16641
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID17601
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB34825
CRC / DFC (Dictionary of Food Compounds) IDHTX66-I:HTX66-I
EAFUS ID2672
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
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