(+)-2-Bromo-3-(4-nitrophenyl)propanoic acid (CED0044804)

Record Information

Version

1.0

Creation Date

2026-04-06 09:09:37 UTC

Update Date

2026-08-25 20:49:35 UTC

Accession Number

CHEM121221

Identification

Common Name

(+)-2-Bromo-3-(4-nitrophenyl)propanoic acid

Class

Small Molecule

Description

(+)-2-Bromo-3-(4-nitrophenyl)propanoic acid is a chemical compound with the formula C9H8BrNO4 and an average molecular weight of 274.07 g/mol. This substance has been identified in or released from 13 recorded sources across several sectors. In the healthcare, pharmaceuticals & veterinary products sector, it is associated with medical devices. Within the energy, oil & gas and industrial manufacturing & chemical processing sectors, it is found in lubricants. Its presence is also noted in the food, food processing & cookware sector regarding food packaging, and in textiles, leather & furnishings, specifically in synthetic textiles as well as carpets and rugs. Additionally, it is linked to electrical & electronic equipment, including batteries, capacitors, printed circuit boards, wires and cables, and cell phones, among one other source. Recorded exposure routes for this compound include oral, inhalation, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₈BrNO₄

Average Molecular Mass

274.070 g/mol

Monoisotopic Mass

272.964 g/mol

CAS Registry Number

18910-12-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C9H8BrNO4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5H2,(H,12,13)

InChI Key

UOMCKHFTGYBX-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

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
7	Pesticides	Agriculture & land management	Not Available
120	Wires and cables	Electrical & Electronic Equipment	Not Available
121	Printed circuit boards	Electrical & Electronic Equipment	Not Available
125	Batteries	Electrical & Electronic Equipment	Not Available
130	Semiconductors	Electrical & Electronic Equipment	Not Available
138	Lubricants	Energy, oil & gas	Not Available
147	Food packaging	Food, food processing & cookware	Not Available
174	Lubricants	Industrial manufacturing & chemical processing	Not Available
234	Medical devices	Healthcare, pharmaceuticals & veterinary products	Not Available
451	Carpets and Rugs	Textiles, leather & furnishings	Not Available
454	Synthetic textiles	Textiles, leather & furnishings	Not Available
490		Personal care & cosmetics	Not Available
492	Cell phones	Electrical & Electronic Equipment	Not Available
493	Capacitors	Electrical & Electronic Equipment	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	Endolysin	P00720	Enterobacteria phage T4	Predicted (SEA)	0.311397
Click to view 3D structure	Patatin-like phospholipase domain-containing protein 6	Q3TRM4	Mus musculus	Predicted (SEA)	7.16213
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	74.5796
Click to view 3D structure	Hydroxyacylglutathione hydrolase, mitochondrial	O35952	Rattus norvegicus	Predicted (SEA)	1.86838
Click to view 3D structure	Mast cell carboxypeptidase A	P15088	Humans	Predicted (SEA)	10.1204
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	267.801
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	269.748
Click to view 3D structure	Serine racemase	Q9GZT4	Humans	Predicted (SEA)	12.3002
Click to view 3D structure	Nitric oxide synthase 3	P70313	Mus musculus	Predicted (SEA)	3.58106
Click to view 3D structure	Protein-glutamine gamma-glutamyltransferase 2	P08587	Cavia cutleri	Predicted (SEA)	2.49118
Click to view 3D structure	Ubiquitin-conjugating enzyme E2 B	P63146	Humans	Predicted (SEA)	3.03612
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	151.183
Click to view 3D structure	Aldo-keto reductase family 1 member C3	P42330	Humans	Predicted (SEA)	45.7753
Click to view 3D structure	Fatty-acid amide hydrolase 1	O08914	Mus musculus	Predicted (SEA)	38.8468
Click to view 3D structure	Prostaglandin G/H synthase 1	P05979	Ovis aries	Predicted (SEA)	60.0218
Click to view 3D structure	Monoglyceride lipase	O35678	Mus musculus	Predicted (SEA)	22.1092
Click to view 3D structure	Matrix metalloproteinase-9	P14780	Humans	Predicted (SEA)	361.22
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	364.179
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	107.743
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	116.93
Click to view 3D structure	Carboxypeptidase A1	P15085	Humans	Predicted (SEA)	53.0932
Click to view 3D structure	Tyrosine 3-monooxygenase	P04177	Rattus norvegicus	Predicted (SEA)	5.13805
Click to view 3D structure	Carboxypeptidase A1	P00730	Bos taurus	Predicted (SEA)	15.1027
Click to view 3D structure	Fatty acid synthase	P49327	Humans	Predicted (SEA)	87.5025
Click to view 3D structure	Monoacylglycerol lipase ABHD6	Q8R2Y0	Mus musculus	Predicted (SEA)	15.1027