Dichloromethanesulphonyl chloride (CED0000343)

Record Information

Version

1.0

Creation Date

2026-04-05 03:00:37 UTC

Update Date

2026-08-26 00:19:14 UTC

SynCED ID

CED0000343

Secondary Accession Numbers

CHEM090684

Identification

Common Name

Dichloromethanesulphonyl chloride

Class

Small Molecule

Description

Dichloromethanesulphonyl chloride belongs to the sulfonyl chlorides, a subclass of sulfonyl halides within the organic compounds. It is classified as an organohalogen compound with the chemical formula CHCl3O2S. The compound has an average molecular weight of 183.43 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

CHCl₃O₂S

Average Molecular Mass

183.430 g/mol

Monoisotopic Mass

181.876 g/mol

CAS Registry Number

41197-29-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

ClC(Cl)S(Cl)(=O)=O

InChI Identifier

InChI=1/CHCl3O2S/c2-1(3)7(4,5)6/h1H

InChI Key

ZTCPYHGKJGSSPD-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

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

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

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

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem

Pathways

0 pathwaysPathway Source: PathBank

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 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.231 Low confidence Statistical Significance 0.8248 Supporting Reference Compounds 472 E-value 6421.08
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.231 Low confidence Statistical Significance 0.6914 Supporting Reference Compounds 242 E-value 5382.42
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.231 Low confidence Statistical Significance 0.7809 Supporting Reference Compounds 407 E-value 6079.63
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.231 Low confidence Statistical Significance 0.8238 Supporting Reference Compounds 372 E-value 6412.91
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.231 Low confidence Statistical Significance 0.6275 Supporting Reference Compounds 151 E-value 4885.43
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.231 Low confidence Statistical Significance 0.7053 Supporting Reference Compounds 193 E-value 5491.02
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.231 Low confidence Statistical Significance 0.0951 Supporting Reference Compounds 43 E-value 740.19
Click to view 3D structure	Carbonic anhydrase	C0IX24	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.231 Low confidence Statistical Significance 0.095 Supporting Reference Compounds 41 E-value 739.801
Click to view 3D structure	Carbonic anhydrase	P40881	Methanosarcina thermophila	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.231 Low confidence Statistical Significance 0.0375 Supporting Reference Compounds 22 E-value 291.779
Click to view 3D structure	Astrosclerin-3	A6YCJ1	Astrosclera willeyana	Predicted (SEA)	Prediction Confidence Score 0.155 Applicability Domain 0.231 Low confidence Statistical Significance 0.2009 Supporting Reference Compounds 44 E-value 1563.91
Click to view 3D structure	Carbonic anhydrase	P53615	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.231 Low confidence Statistical Significance 0.1738 Supporting Reference Compounds 34 E-value 1352.94
Click to view 3D structure	Aspartate-semialdehyde dehydrogenase	O25801	Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.143 Low confidence Statistical Significance 0.0076 Supporting Reference Compounds 1 E-value 59.2433
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.188 Low confidence Statistical Significance 0.6707 Supporting Reference Compounds 55 E-value 5221.27
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.143 Low confidence Statistical Significance 0.9762 Supporting Reference Compounds 332 E-value 7599.33
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.143 Low confidence Statistical Significance 0.9332 Supporting Reference Compounds 172 E-value 7264.81
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	Prediction Confidence Score 0.137 Applicability Domain 0.143 Low confidence Statistical Significance 0.9324 Supporting Reference Compounds 157 E-value 7258.66
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.137 Applicability Domain 0.143 Low confidence Statistical Significance 0.9477 Supporting Reference Compounds 165 E-value 7377.77
Click to view 3D structure	Carbonic anhydrase 13	Q8N1Q1	Humans	Predicted (SEA)	Prediction Confidence Score 0.137 Applicability Domain 0.167 Low confidence Statistical Significance 0.9083 Supporting Reference Compounds 92 E-value 7070.89
Click to view 3D structure	Cholinesterase	P06276	Humans	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.188 Low confidence Statistical Significance 0.9891 Supporting Reference Compounds 234 E-value 7699.91
Click to view 3D structure	Carbonic anhydrase 2	Q3I4V7	Cryptococcus neoformans	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.143 Low confidence Statistical Significance 0.7957 Supporting Reference Compounds 60 E-value 6194.23
Click to view 3D structure	Carbonic anhydrase	Q5AJ71	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.143 Low confidence Statistical Significance 0.7787 Supporting Reference Compounds 68 E-value 6061.81
Click to view 3D structure	Delta carbonic anhydrase	Q5U9J1	Conticribra weissflogii	Predicted (SEA)	Prediction Confidence Score 0.134 Applicability Domain 0.143 Low confidence Statistical Significance 0.4348 Supporting Reference Compounds 35 E-value 3384.65
Click to view 3D structure	Carbonic anhydrase 13	Q9D6N1	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.134 Applicability Domain 0.143 Low confidence Statistical Significance 0.8467 Supporting Reference Compounds 70 E-value 6591.73
Click to view 3D structure	Carbonate dehydratase	B2V8E3	Sulfurihydrogenibium sp. (strain YO3AOP1)	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.143 Low confidence Statistical Significance 0.4756 Supporting Reference Compounds 40 E-value 3702.35
Click to view 3D structure	Carbonic anhydrase	O24855	Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.143 Low confidence Statistical Significance 0.4815 Supporting Reference Compounds 38 E-value 3748.28