1,2,3,4-Tetrabromobutane (CED0079870)

Record Information

Version

1.0

Creation Date

2026-04-04 19:59:24 UTC

Update Date

2026-08-22 17:43:13 UTC

SynCED ID

CED0079870

Secondary Accession Numbers

CHEM080391

Identification

Common Name

1,2,3,4-Tetrabromobutane

Class

Small Molecule

Description

1,2,3,4-Tetrabromobutane belongs to the organobromides, a class of organohalogen compounds within the organic compounds. This compound has the chemical formula C4H6Br4 and an average molecular weight of 373.71 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₄H₆Br₄

Average Molecular Mass

373.708 g/mol

Monoisotopic Mass

369.720 g/mol

CAS Registry Number

1529-68-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

BrCC(Br)C(Br)CBr

InChI Identifier

InChI=1/C4H6Br4/c5-1-3(7)4(8)2-6/h3-4H,1-2H2

InChI Key

HGRZLIGHKHRTRE-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
242.0 Log mg/kg [140:430]	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
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
CEDs000640	Embroidering And Tufting?Embroidering and tufting processes often involve the use of synthetic chemicals such as dyes, adhesives, and finishing agents.	Textiles, leather & furnishings	PubChem
CEDs000647	Multicolour Dyeing?Multicolour dyeing involves the application of multiple synthetic dyes to textiles and other materials to achieve vibrant, diverse color patterns.	Textiles, leather & furnishings	PubChem
CEDs000662	Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.	Textiles, leather & furnishings	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	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	Ornithine decarboxylase	P09057	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.116 Applicability Domain 0.136 Low confidence Statistical Significance 5.00e-04 Supporting Reference Compounds 3 E-value 3.89246
Click to view 3D structure	TyR1	H9TVJ1	Chilo suppressalis	Predicted (SEA)	Prediction Confidence Score 0.111 Applicability Domain 0.111 Low confidence Statistical Significance 0.1239 Supporting Reference Compounds 1 E-value 964.63
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.107 Applicability Domain 0.136 Low confidence Statistical Significance 0.9998 Supporting Reference Compounds 955 E-value 7783.52
Click to view 3D structure	Trace amine-associated receptor 1	Q96RJ0	Humans	Predicted (SEA)	Prediction Confidence Score 0.104 Applicability Domain 0.136 Low confidence Statistical Significance 0.9941 Supporting Reference Compounds 63 E-value 7739.22
Click to view 3D structure	Alpha-2A adrenergic receptor	Q01338	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.103 Applicability Domain 0.103 Low confidence Statistical Significance 0.2391 Supporting Reference Compounds 1 E-value 1861.3
Click to view 3D structure	Alpha-2C adrenergic receptor	Q01337	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.103 Applicability Domain 0.103 Low confidence Statistical Significance 0.2391 Supporting Reference Compounds 1 E-value 1861.3
Click to view 3D structure	Palmitoyltransferase ZDHHC7	Q9NXF8	Humans	Predicted (SEA)	Prediction Confidence Score 0.103 Applicability Domain 0.103 Low confidence Statistical Significance 0.1143 Supporting Reference Compounds 1 E-value 889.972
Click to view 3D structure	Spermine synthase	Q3SZA5	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.1 Applicability Domain 0.1 Low confidence Statistical Significance 0.0052 Supporting Reference Compounds 1 E-value 40.248
Click to view 3D structure	Mitochondrial 2-oxodicarboxylate carrier	Q8BZ09	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.1 Applicability Domain 0.1 Low confidence Statistical Significance 0.0052 Supporting Reference Compounds 1 E-value 40.248
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.099 Applicability Domain 0.136 Low confidence Statistical Significance 0.9995 Supporting Reference Compounds 380 E-value 7780.8
Click to view 3D structure	Beta-lactamase VIM-1	Q9XAY4	Pseudomonas aeruginosa	Predicted (SEA)	Prediction Confidence Score 0.095 Applicability Domain 0.095 Low confidence Statistical Significance 0.0683 Supporting Reference Compounds 1 E-value 531.399
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.095 Applicability Domain 0.133 Low confidence Statistical Significance 0.9997 Supporting Reference Compounds 242 E-value 7782.9
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.094 Applicability Domain 0.133 Low confidence Statistical Significance 0.9995 Supporting Reference Compounds 151 E-value 7781.26
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.094 Applicability Domain 0.133 Low confidence Statistical Significance 0.9994 Supporting Reference Compounds 172 E-value 7780.1
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.094 Applicability Domain 0.133 Low confidence Statistical Significance 0.9998 Supporting Reference Compounds 193 E-value 7783.05
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.092 Applicability Domain 0.133 Low confidence Statistical Significance 0.9996 Supporting Reference Compounds 165 E-value 7781.96
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	Prediction Confidence Score 0.092 Applicability Domain 0.133 Low confidence Statistical Significance 0.9996 Supporting Reference Compounds 157 E-value 7781.89
Click to view 3D structure	Asc-type amino acid transporter 1	P63116	Rat	Predicted (SEA)	Prediction Confidence Score 0.091 Applicability Domain 0.091 Low confidence Statistical Significance 0.1092 Supporting Reference Compounds 2 E-value 849.88
Click to view 3D structure	Phospho-2-dehydro-3-deoxyheptonate aldolase	C3TIE2	Escherichia coli	Predicted (SEA)	Prediction Confidence Score 0.091 Applicability Domain 0.091 Low confidence Statistical Significance 0.0749 Supporting Reference Compounds 1 E-value 582.935
Click to view 3D structure	Sodium- and chloride-dependent GABA transporter 2	P31646	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.091 Applicability Domain 0.091 Low confidence Statistical Significance 0.1171 Supporting Reference Compounds 1 E-value 911.77
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P08909	Rat	Predicted (SEA)	Prediction Confidence Score 0.089 Applicability Domain 0.094 Low confidence Statistical Significance 0.9995 Supporting Reference Compounds 185 E-value 7780.95
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.089 Applicability Domain 0.133 Low confidence Statistical Significance 0.9999 Supporting Reference Compounds 372 E-value 7784.53
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.088 Applicability Domain 0.094 Low confidence Statistical Significance 0.9999 Supporting Reference Compounds 823 E-value 7784.38
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.088 Applicability Domain 0.107 Low confidence Statistical Significance 0.9999 Supporting Reference Compounds 451 E-value 7784.22
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.087 Applicability Domain 0.1 Low confidence Statistical Significance 1.0 Supporting Reference Compounds 506 E-value 7784.61