Showing Compound Hydrogen chloride (FDB016076)

Record Information

Version

1.0

Creation date

2010-04-08 22:12:13 UTC

Update date

2015-07-20 23:25:20 UTC

Primary ID

FDB016076

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Hydrogen chloride

Description

Hydrochloric acid, also known as HCl or hydrochloride, 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. Hydrochloric acid is an extremely strong acidic compound (based on its pKa). Hydrochloric acid is a potentially toxic compound.

CAS Number

7647-01-0

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
[HCL]	ChEBI
Chlorure d'hydrogene	ChEBI
Chlorwasserstoff	ChEBI
Cloruro de hidrogeno	ChEBI
HCl	ChEBI
Hydrochloride	ChEBI
Hydrogenchlorid	ChEBI
Wasserstoffchlorid	ChEBI
Hydrogen chloride	Kegg
Hydrochlate	Generator
Hydrochlic acid	Generator
Anhydrous hydrochloric acid	HMDB
Aqueous hydrogen chloride	HMDB
Chlorane	HMDB
Chlorohydric acid	HMDB
HCL]	HMDB
Hydrochloric acid (JP15/nf)	HMDB
Hydrochloric acid gas	HMDB
Hydrogen chloric anhydrous	HMDB
Hydrogen chloride (acid)	HMDB
Hydrogen chloride (HCL)	HMDB
Hydrogen chloride anhydrous	HMDB
Marine acid	HMDB
Muriatic acid	HMDB
Spirit OF salt	HMDB
Acid, muriatic	HMDB
Acid, hydrochloric	HMDB
Chloride, hydrogen	HMDB
[HCl]	ChEBI
Anhydrous hydrogen chloride	biospider
Basilin	biospider
E507	db_source
Hydrochloric acid	ChEBI
Hydrochloric acid (jp15/nf)	HMDB
Hydrochloric acid, 9CI	db_source
Hydrogen chloride (hcl)	HMDB
Soldering acid	biospider
Spirit of salt	biospider
Spirits of salt	db_source
Spirits of salts	biospider

Predicted Properties

Property	Value	Source
logP	0.61	ChemAxon
pKa (Strongest Acidic)	-7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	6.42 m³·mol⁻¹	ChemAxon
Polarizability	2.65 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Chemical Formula

ClH

IUPAC name

hydrogen chloride

InChI Identifier

InChI=1S/ClH/h1H

InChI Key

VEXZGXHMUGYJMC-UHFFFAOYSA-N

Isomeric SMILES

Average Molecular Weight

36.461

Monoisotopic Molecular Weight

35.976677739

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.

Kingdom

Inorganic compounds

Super Class

Homogeneous non-metal compounds

Class

Halogen organides

Sub Class

Halogen hydrides

Direct Parent

Halogen hydrides

Alternative Parents

Inorganic hydrides

Substituents

Halogen hydride
Inorganic hydride

Molecular Framework

Not Available

External Descriptors

hydrogen halide (CHEBI:17883 )
mononuclear parent hydride (CHEBI:17883 )
chlorine molecular entity (CHEBI:17883 )
a small molecule (HCL )

Ontology

General disorders and administration site conditions:

Pain

Gastrointestinal disorders:

Ingestion

Source:

Endogenous

Role

Biological role:

Osmolyte

Molecular messenger:

Signaling molecule

Environmental role:

Industrial application:

Food and nutrition

Pharmaceutical industry:

Pharmaceutical

Physico-Chemical Properties

Physico-Chemical Properties - Experimental

Property	Value	Reference
Physical state	Solid
Physical Description	Not Available
Mass Composition	Cl 97.24%; H 2.76%	DFC
Melting Point	Mp -114°	DFC
Boiling Point	Bp -85°	DFC
Experimental Water Solubility	Not Available
Experimental logP	Not Available
Experimental pKa	-8.0
Isoelectric point	Not Available
Charge	Not Available
Optical Rotation	Not Available
Spectroscopic UV Data	Not Available
Density	Not Available
Refractive Index	Not Available

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
Predicted GC-MS	Hydrogen chloride, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-000i-9000000000-9c67ad6c6de9138449dd	Spectrum
Predicted GC-MS	Hydrogen chloride, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum

MS/MS

Type	Description	Splash Key	View
MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , negative	splash10-0a4i-0000009000-8651ed5a563be0ad942f	2017-09-14	View Spectrum
MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , negative	splash10-0a4i-0000009000-6193af2f15253417208c	2017-09-14	View Spectrum
MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , positive	splash10-014i-0000900000-5818c00db6f91eb3e74d	2017-09-14	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-9000000000-942cba57b20ee16a420d	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000i-9000000000-942cba57b20ee16a420d	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000i-9000000000-942cba57b20ee16a420d	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-9000000000-5849201eeb63a76419cf	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-9000000000-5849201eeb63a76419cf	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-9000000000-5849201eeb63a76419cf	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-9000000000-c2fa753da65a4bac80a1	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-9000000000-c2fa753da65a4bac80a1	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-9000000000-c2fa753da65a4bac80a1	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-9000000000-a69f8335a8796781b4b0	2021-09-23	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000i-9000000000-a69f8335a8796781b4b0	2021-09-23	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000i-9000000000-a69f8335a8796781b4b0	2021-09-23	View Spectrum

NMR

Not Available

External Links

ChemSpider ID

ChEMBL ID

KEGG Compound ID

Pubchem Compound ID

Pubchem Substance ID

Not Available

ChEBI ID

17883

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

HMDB02306

CRC / DFC (Dictionary of Food Compounds) ID

KMT67-Z:KMT67-Z

EAFUS ID

1717

Dr. Duke ID

Not Available

BIGG ID

Not Available

KNApSAcK ID

Not Available

HET ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

Not Available

SuperScent ID

Not Available

Wikipedia ID

Hydrochloric acid

Phenol-Explorer Metabolite ID

Not Available

Duplicate IDS

Not Available

Old DFC IDS

Not Available

Associated Foods

Food	Content Range	Average	Reference
Food			Reference

Biological Effects and Interactions

Health Effects / Bioactivities

Not Available

Enzymes

Name	Gene Name	UniProt ID
Glutathione S-transferase Mu 3	GSTM3	P21266
Glutathione S-transferase omega-1	GSTO1	P78417
Glutathione S-transferase A2	GSTA2	P09210
Glutathione S-transferase P	GSTP1	P09211
Glutathione S-transferase Mu 2	GSTM2	P28161
Glutathione S-transferase Mu 1	GSTM1	P09488
Glutathione S-transferase kappa 1	GSTK1	Q9Y2Q3
Microsomal glutathione S-transferase 3	MGST3	O14880
Glutathione S-transferase A1	GSTA1	P08263
Microsomal glutathione S-transferase 1	MGST1	P10620
Glutathione S-transferase Mu 4	GSTM4	Q03013
Glutathione S-transferase Mu 5	GSTM5	P46439
Microsomal glutathione S-transferase 2	MGST2	Q99735
Glutathione S-transferase A5	GSTA5	Q7RTV2
Glutathione S-transferase A3	GSTA3	Q16772
Glutathione S-transferase A4	GSTA4	O15217
Glutathione S-transferase omega-2	GSTO2	Q9H4Y5
Maleylacetoacetate isomerase	GSTZ1	O43708
Glutathione S-transferase theta-2	GSTT2	P0CG29