(2-bromo-2-nitroethenyl)benzene (CED0215417)

Record Information

Version

1.0

Creation Date

2026-08-24 21:42:00 UTC

Update Date

2026-08-24 21:42:00 UTC

Accession Number

CHEM255468

Identification

Common Name

(2-bromo-2-nitroethenyl)benzene

Class

Small Molecule

Description

(2-bromo-2-nitroethenyl)benzene belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This compound has the chemical formula C8H6BrNO2 and an average molecular weight of 228.04 g/mol. It has been identified in or released from one recorded source: household cleaning and consumer products, specifically bleaching agents.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₆BrNO₂

Average Molecular Mass

228.040 g/mol

Monoisotopic Mass

226.958 g/mol

CAS Registry Number

7166-19-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C8H6BrNO2/c9-8(10(11)12)6-7-4-2-1-3-5-7/h1-6H

InChI Key

SKDNDVDHYMEGNJ-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

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
851.0	Log mg/kg	[480:1500]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
555	Bleaching Agents	Household cleaning & consumer products	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
596	Acaricides	Agriculture & land management	Not Available
597	Chemosterilants	Agriculture & land management	Not Available
602	Molluscicides	Agriculture & land management	Not Available
603	Nematocides	Agriculture & land management	Not Available
604	Pest Attractants	Agriculture & land management	Not Available
605	Pest Repellants	Agriculture & land management	Not Available
606	Plant Growth Regulators	Agriculture & land management	Not Available
607	Rodenticides(1)	Agriculture & land management	Not Available
608	Rodenticides	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	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	347.285
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	169.789
Click to view 3D structure	Cytochrome P450 1B1	Q16678	Humans	Predicted (SEA)	114.438
Click to view 3D structure	Endolysin	P00720	Enterobacteria phage T4	Predicted (SEA)	16.7376
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	480.875
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	232.536
Click to view 3D structure	Sphingosine 1-phosphate receptor 4	O95977	Humans	Predicted (SEA)	126.116
Click to view 3D structure	Toll-like receptor 9	Q9NR96	Humans	Predicted (SEA)	149.003
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	500.181
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	500.337
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	2374.56
Click to view 3D structure	G-protein coupled receptor 35	Q9HC97	Humans	Predicted (SEA)	196.959
Click to view 3D structure	Catechol O-methyltransferase	P22734	Rattus norvegicus	Predicted (SEA)	17.9832
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	660.395
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	1277.97
Click to view 3D structure	Catechol O-methyltransferase	Q99028	Sus scrofa	Predicted (SEA)	5.60514
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	4463.87
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	994.29
Click to view 3D structure	Tyrosinase	O42713	Agaricus bisporus	Predicted (SEA)	52.0033
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	1218.42
Click to view 3D structure	Transient receptor potential cation channel subfamily A member 1	Q6RI86	Rattus norvegicus	Predicted (SEA)	91.7064
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	1252.44
Click to view 3D structure	Transient receptor potential cation channel subfamily A member 1	O75762	Humans	Predicted (SEA)	131.565
Click to view 3D structure	Sortase A	Q8CM62	Streptococcus mutans	Predicted (SEA)	11.366
Click to view 3D structure	Lignostilbene alpha, beta-dioxygenase	O87171	Sphingomonas paucimobilis	Predicted (SEA)	2.41333