Carbonic dichloride (CED0005132)

Record Information

Version

1.0

Creation Date

2016-05-19 01:32:17 UTC

Update Date

2026-08-26 00:10:02 UTC

Accession Number

CHEM004012

Identification

Common Name

Carbonic dichloride

Class

Small Molecule

Description

Carbonic dichloride (CCl2O) is a chemical compound with an average molecular weight of 98.91 g/mol. Carbonic dichloride belongs to the halogen oxides, a subclass of halogen organides within the inorganic compounds. This compound is found in or released from 17 recorded sources. Within the category of electrical and electronic equipment, these sources include antennas, amplifiers, electric switches, discharge lamps, and conductors or conductive bodies characterised by the conductive materials. In the domain of household cleaning and consumer products, it is associated with soap detergents, perfumes within detergents and soaps, and pipe accessories. Additionally, it is found in building and construction materials such as tents or canopies, as well as in food preservation within the food, food processing and cookware sector. Regarding exposure, inhalation is a route supported by literature (PMC12651993).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Carbon dichloride oxide	ChEBI
Carbon oxychloride	ChEBI
Carbone (oxychlorure de)	ChEBI
Carbonic acid dichloride	ChEBI
Carbonic chloride	ChEBI
Carbonic dichloride	ChEBI
Carbonyl chloride	ChEBI
Carbonyl dichloride	ChEBI
Carbonylchlorid	ChEBI
Chloroformyl chloride	ChEBI
COCl2	ChEBI
Dichloroformaldehyde	ChEBI
Fosgeen	ChEBI
Fosgen	ChEBI
Phosgen	ChEBI
Carbonate dichloride	Generator
Phosgene	MeSH

Chemical Formula

CCl₂O

Average Molecular Mass

98.910 g/mol

Monoisotopic Mass

97.933 g/mol

CAS Registry Number

75-44-5

IUPAC Name

carbonyl dichloride

Traditional Name

phosgene

SMILES

ClC(Cl)=O

InChI Identifier

InChI=1S/CCl2O/c2-1(3)4

InChI Key

YGYAWVDWMABLBF-UHFFFAOYSA-N

Chemical Taxonomy

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.

Kingdom

Inorganic compounds

Super Class

Homogeneous non-metal compounds

Class

Halogen organides

Sub Class

Halogen oxides

Direct Parent

Halogen oxides

Alternative Parents

Substituents

Halogen oxide
Carbonic acid derivative
Inorganic oxide
Carbonyl group

Molecular Framework

Not Available

External Descriptors

acyl chloride (CHEBI:29365 )

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	10.9 g/L	ALOGPS
logP	0.7	ALOGPS
logP	1.32	ChemAxon
logS	-0.96	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	17.07 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	17.22 m³·mol⁻¹	ChemAxon
Polarizability	6.51 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 GC-MS	Predicted GC-MS Spectrum	splash10-0002-9000000000-bd695029bac47fc4ea8f	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-9000000000-9d6c95c3db9ea7f08935	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-9000000000-9d6c95c3db9ea7f08935	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-9000000000-9d6c95c3db9ea7f08935	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-9000000000-72444f91830b8af5980a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-9000000000-72444f91830b8af5980a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-9000000000-72444f91830b8af5980a	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

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
266.0	Log mg/kg	[150:470]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
10	Insecticides	Agriculture & land management	Not Available
233	Brushes	Personal care & cosmetics	Not Available
503	Tents Or Canopies	Building & Construction	Not Available
505	Amplifiers	Electrical & Electronic Equipment	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
511	Conductors Or Conductive Bodies Characterised By The Conductive Materials	Electrical & Electronic Equipment	Not Available
514	Discharge Lamps	Electrical & Electronic Equipment	Not Available
517	Electric Switches	Electrical & Electronic Equipment	Not Available
519	Electrodes	Electrical & Electronic Equipment	Not Available
521	Fixed Capacitors And Their Manufacture	Electrical & Electronic Equipment	Not Available
524	Hybrid Capacitors	Electrical & Electronic Equipment	Not Available
525	Line Transmission Systems	Electrical & Electronic Equipment	Not Available
535	Superconducting Magnets And Superconducting Coils	Electrical & Electronic Equipment	Not Available
536	Superconductive Or Hyperconductive Conductors Cables Or Transmission Lines	Electrical & Electronic Equipment	Not Available
539	Video Games	Electrical & Electronic Equipment	Not Available
545	Food Preservation	Food, food processing & cookware	Not Available
561	Perfumes Within Detergents And Soaps	Household cleaning & consumer products	Not Available
562	Pipe Accessories	Household cleaning & consumer products	Not Available
563	Soap Detergents	Household cleaning & consumer products	Not Available
579	Manufacture Of Iron Or Steel	Industrial manufacturing & chemical processing	Not Available
580	Manufacture Preparation Of Tobacco Products	Industrial manufacturing & chemical processing	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
589	Life Buoys	Marine, shipping & aquaculture	Not Available
596	Acaricides	Agriculture & land management	Not Available
600	Herbicides And Algicides	Agriculture & land management	Not Available
606	Plant Growth Regulators	Agriculture & land management	Not Available
610	Aftersun Products	Personal care & cosmetics	Not Available
611	Anti Perspirants Or Body Deoderants	Personal care & cosmetics	Not Available
613	Depilatories	Personal care & cosmetics	Not Available
614	Essential Oils Or Perfumes	Personal care & cosmetics	Not Available
615	Eye Makeup Products	Personal care & cosmetics	Not Available
618	Lip Makeup Products	Personal care & cosmetics	Not Available
632	Apparel	Textiles, leather & furnishings	Not Available
635	Buttons	Textiles, leather & furnishings	Not Available
642	Footwear	Textiles, leather & furnishings	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
656	Snap Fasteners	Textiles, leather & furnishings	Not Available
657	Surface Finishing Of Leather	Textiles, leather & furnishings	Not Available
659	Transfer Printing	Textiles, leather & furnishings	Not Available
662	Yarns Or Threads	Textiles, leather & furnishings	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	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	3901.1
Click to view 3D structure	Type IV secretion-like conjugative transfer relaxase protein TraI	B1LRJ1	Escherichia coli (strain SMS-3-5 / SECEC)	Predicted (SEA)	1.08989
Click to view 3D structure	Fumarate hydratase, mitochondrial	P10173	Sus scrofa	Predicted (SEA)	1.16774
Click to view 3D structure	3-ketoacyl-CoA synthase 20	Q9FG87	Arabidopsis thaliana	Predicted (SEA)	2.41333
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	547.047
Click to view 3D structure	Beta-lactamase VIM-1	Q9XAY4	Pseudomonas aeruginosa	Predicted (SEA)	7.94062
Click to view 3D structure	Egl nine homolog 1	Q9GZT9	Humans	Predicted (SEA)	4038.51
Click to view 3D structure	Asc-type amino acid transporter 1	P63116	Rat	Predicted (SEA)	27.0137
Click to view 3D structure	Kynurenine 3-monooxygenase	P38169	Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)	Predicted (SEA)	322.218
Click to view 3D structure	Sodium- and chloride-dependent GABA transporter 2	P31646	Rattus norvegicus	Predicted (SEA)	43.7513
Click to view 3D structure	Olfactory receptor 51E2	Q9H255	Humans	Predicted (SEA)	62.1237
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	7195.06
Click to view 3D structure	Metabotropic glutamate receptor 5	P41594	Humans	Predicted (SEA)	6571.88
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	3396.87
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	3528.98
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	7418.56
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	6696.43
Click to view 3D structure	Liver carboxylesterase 1	P12337	Oryctolagus cuniculus	Predicted (SEA)	582.234
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	6934.26
Click to view 3D structure	Retinal dehydrogenase 2	O93344	Gallus gallus	Predicted (SEA)	10.2761
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	6678.92
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	7349.12
Click to view 3D structure	Metabotropic glutamate receptor 2	P31421	Rattus norvegicus	Predicted (SEA)	6242.03
Click to view 3D structure	Metabotropic glutamate receptor 3	P31422	Rattus norvegicus	Predicted (SEA)	5084.88
Click to view 3D structure	Metabotropic glutamate receptor 2	Q14416	Humans	Predicted (SEA)	6927.49