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

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Synonym	Source
[HCL]	ChEBI
[HCl]	ChEBI
Acid, hydrochloric	HMDB
Acid, muriatic	HMDB
Anhydrous hydrochloric acid	HMDB
Anhydrous hydrogen chloride	biospider
Aqueous hydrogen chloride	HMDB
Basilin	biospider
Chlorane	HMDB
Chloride, hydrogen	HMDB

Showing 1 to 10 of 40 entries

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

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Property	Value	Reference
Boiling Point	Bp -85°	DFC
Charge	Not Available
Density	Not Available
Experimental logP	Not Available
Experimental pKa	-8.0
Experimental Water Solubility	Not Available
Isoelectric point	Not Available
Mass Composition	Cl 97.24%; H 2.76%	DFC
Melting Point	Mp -114°	DFC
Optical Rotation	Not Available

Showing 1 to 10 of 14 entries

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

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Food	Content Range	Average	Reference

Processing...

Biological Effects and Interactions

Health Effects / Bioactivities

Not Available

Enzymes

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Name	Gene Name	UniProt ID
Glutathione S-transferase A1	GSTA1	P08263
Glutathione S-transferase A2	GSTA2	P09210
Glutathione S-transferase A3	GSTA3	Q16772
Glutathione S-transferase A4	GSTA4	O15217
Glutathione S-transferase A5	GSTA5	Q7RTV2
Glutathione S-transferase kappa 1	GSTK1	Q9Y2Q3
Glutathione S-transferase Mu 1	GSTM1	P09488
Glutathione S-transferase Mu 2	GSTM2	P28161
Glutathione S-transferase Mu 3	GSTM3	P21266
Glutathione S-transferase Mu 4	GSTM4	Q03013