Hypochlorous acid, lithium salt (1:1) (CED0017003)

Record Information

Version

1.0

Creation Date

2016-05-19 03:16:31 UTC

Update Date

2026-04-16 22:51:21 UTC

Accession Number

CHEM010095

Identification

Common Name

Hypochlorous acid, lithium salt (1:1)

Class

Small Molecule

Description

Hypochlorous acid, lithium salt (1:1) belongs to the alkali metal hypochlorites, a subclass of alkali metal oxoanionic compounds within the inorganic compounds. This mixed metal/non-metal compound has the chemical formula ClLiO and an average molecular weight of 58.39 g/mol. It has been identified as being found in or released from one recorded source: electrical and electronic equipment, specifically antennas.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Lithium hypochlorite	MeSH

Chemical Formula

ClLiO

Average Molecular Mass

58.390 g/mol

Monoisotopic Mass

57.980 g/mol

CAS Registry Number

13840-33-0

IUPAC Name

lithium(1+) ion hypochlorite

Traditional Name

lithium(1+) ion hypochlorite

SMILES

[Li+].[O-]Cl

InChI Identifier

InChI=1S/ClO.Li/c1-2;/q-1;+1

InChI Key

LWXVCCOAQYNXNX-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of inorganic compounds known as alkali metal hypochlorites. These are inorganic compounds in which the largest oxoanion is hypochlorite, and in which the heaviest atom not in an oxoanion is an alkali metal.

Kingdom

Inorganic compounds

Super Class

Mixed metal/non-metal compounds

Class

Alkali metal oxoanionic compounds

Sub Class

Alkali metal hypochlorites

Direct Parent

Alkali metal hypochlorites

Alternative Parents

Substituents

Alkali metal hypochlorite
Inorganic lithium salt
Inorganic oxide
Inorganic salt

Molecular Framework

Not Available

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	319 g/L	ALOGPS
logP	0.34	ALOGPS
logP	0.32	ChemAxon
logS	0.74	ALOGPS
pKa (Strongest Acidic)	7.93	ChemAxon
pKa (Strongest Basic)	-5.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	23.06 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	7.58 m³·mol⁻¹	ChemAxon
Polarizability	3.15 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

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9000000000-ab98b13106c9fa83eb39	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9000000000-ab98b13106c9fa83eb39	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9000000000-6d57a945733634540004	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
506	Antennas	Electrical & Electronic Equipment	Not Available
597	Chemosterilants	Agriculture & land management	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Type IV secretion-like conjugative transfer relaxase protein TraI	B1LRJ1	Escherichia coli (strain SMS-3-5 / SECEC)	Predicted (SEA)	344.094
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	7784.84
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	7784.77
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	7784.69
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	7784.84
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	7784.61
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	7784.53
Click to view 3D structure	Phospholipase A and acyltransferase 4	Q9UL19	Humans	Predicted (SEA)	7332.46
Click to view 3D structure	Phospholipase A and acyltransferase 5	Q96KN8	Humans	Predicted (SEA)	7332.46
Click to view 3D structure	Phospholipase A and acyltransferase 3	P53816	Humans	Predicted (SEA)	7332.46
Click to view 3D structure	Phospholipase A and acyltransferase 2	Q9NWW9	Humans	Predicted (SEA)	7332.46
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	7784.61
Click to view 3D structure	1-deoxy-D-xylulose-5-phosphate synthase	P77488	Escherichia coli (strain K12)	Predicted (SEA)	7423.86
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	7784.69
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	7784.53
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	7784.61
Click to view 3D structure	Delta carbonic anhydrase	Q5U9J1	Conticribra weissflogii	Predicted (SEA)	7783.29
Click to view 3D structure	Carbonic anhydrase 2	Q3I4V7	Cryptococcus neoformans	Predicted (SEA)	7784.46
Click to view 3D structure	Carbonic anhydrase	Q5AJ71	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	7784.46
Click to view 3D structure	Beta-carbonic anhydrase 1	P9WPJ7	Mycobacterium tuberculosis	Predicted (SEA)	7784.22
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	7784.61
Click to view 3D structure	Toll-like receptor 9	Q9NR96	Humans	Predicted (SEA)	7784.53
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	7784.61
Click to view 3D structure	Carbonate dehydratase	B2V8E3	Sulfurihydrogenibium sp. (strain YO3AOP1)	Predicted (SEA)	7783.52
Click to view 3D structure	Astrosclerin-3	A6YCJ1	Astrosclera willeyana	Predicted (SEA)	7783.52