Record Information
Version1.0
Creation date2010-04-08 22:12:13 UTC
Update date2015-07-20 23:25:20 UTC
Primary IDFDB016076
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameHydrogen chloride
DescriptionAcidifying agent, pH control agent. Auxiliary for inversion of sucrose and hydolysis of starch or proteins. Processing aid in beer malting
CAS Number7647-01-0
Structure
Thumb
Synonyms
SynonymSource
[HCL]ChEBI
Chlorure d'hydrogeneChEBI
ChlorwasserstoffChEBI
Cloruro de hidrogenoChEBI
HClChEBI
HydrochlorideChEBI
HydrogenchloridChEBI
WasserstoffchloridChEBI
Hydrogen chlorideKegg
HydrochlateGenerator
Hydrochlic acidGenerator
Anhydrous hydrochloric acidHMDB
Aqueous hydrogen chlorideHMDB
ChloraneHMDB
Chlorohydric acidHMDB
HCL]HMDB
Hydrochloric acid (JP15/nf)HMDB
Hydrochloric acid gasHMDB
Hydrogen chloric anhydrousHMDB
Hydrogen chloride (acid)HMDB
Hydrogen chloride (HCL)HMDB
Hydrogen chloride anhydrousHMDB
Marine acidHMDB
Muriatic acidHMDB
Spirit OF saltHMDB
Acid, muriaticHMDB
Acid, hydrochloricHMDB
Chloride, hydrogenHMDB
[HCl]ChEBI
Anhydrous hydrogen chloridebiospider
Basilinbiospider
E507db_source
Hydrochloric acidChEBI
Hydrochloric acid (jp15/nf)HMDB
Hydrochloric acid, 9CIdb_source
Hydrogen chloride (hcl)HMDB
Soldering acidbiospider
Spirit of saltbiospider
Spirits of saltdb_source
Spirits of saltsbiospider
Predicted Properties
PropertyValueSource
logP0.61ChemAxon
pKa (Strongest Acidic)-7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity6.42 m³·mol⁻¹ChemAxon
Polarizability2.65 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaClH
IUPAC namehydrogen chloride
InChI IdentifierInChI=1S/ClH/h1H
InChI KeyVEXZGXHMUGYJMC-UHFFFAOYSA-N
Isomeric SMILESCl
Average Molecular Weight36.461
Monoisotopic Molecular Weight35.976677739
Classification
Description belongs to the class of inorganic compounds known as halogen hydrides. These are inorganic compounds in which the heaviest atom bonded to a hydrogen atom is a halogen.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassHalogen organides
Sub ClassHalogen hydrides
Direct ParentHalogen hydrides
Alternative Parents
Substituents
  • Halogen hydride
  • Inorganic hydride
Molecular FrameworkNot Available
External Descriptors
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionCl 97.24%; H 2.76%DFC
Melting PointMp -114°DFC
Boiling PointBp -85°DFC
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKa-8.0
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-000i-9000000000-9c67ad6c6de9138449ddView in MoNA
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , negativesplash10-0a4i-0000009000-8651ed5a563be0ad942fView in MoNA
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , negativesplash10-0a4i-0000009000-6193af2f15253417208cView in MoNA
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-014i-0000900000-5818c00db6f91eb3e74dView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-9000000000-942cba57b20ee16a420dView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-9000000000-942cba57b20ee16a420dView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000i-9000000000-942cba57b20ee16a420dView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-5849201eeb63a76419cfView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-5849201eeb63a76419cfView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-5849201eeb63a76419cfView in MoNA
ChemSpider ID307
ChEMBL IDCHEMBL1231821
KEGG Compound IDC01327
Pubchem Compound ID313
Pubchem Substance IDNot Available
ChEBI ID17883
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB02306
CRC / DFC (Dictionary of Food Compounds) IDKMT67-Z:KMT67-Z
EAFUS ID1717
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDHydrochloric acid
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
Enzymes
NameGene NameUniProt ID
Glutathione S-transferase Mu 3GSTM3P21266
Glutathione S-transferase omega-1GSTO1P78417
Glutathione S-transferase A2GSTA2P09210
Glutathione S-transferase PGSTP1P09211
Glutathione S-transferase Mu 2GSTM2P28161
Glutathione S-transferase Mu 1GSTM1P09488
Glutathione S-transferase kappa 1GSTK1Q9Y2Q3
Microsomal glutathione S-transferase 3MGST3O14880
Glutathione S-transferase A1GSTA1P08263
Microsomal glutathione S-transferase 1MGST1P10620
Glutathione S-transferase Mu 4GSTM4Q03013
Glutathione S-transferase Mu 5GSTM5P46439
Microsomal glutathione S-transferase 2MGST2Q99735
Glutathione S-transferase A5GSTA5Q7RTV2
Glutathione S-transferase A3GSTA3Q16772
Glutathione S-transferase A4GSTA4O15217
Glutathione S-transferase omega-2GSTO2Q9H4Y5
Maleylacetoacetate isomeraseGSTZ1O43708
Glutathione S-transferase theta-2GSTT2P0CG29
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference