1-Bromo-4-(1-methylpropyl)benzene (CED0167129)

Record Information

Version

1.0

Creation Date

2026-04-05 04:02:17 UTC

Update Date

2026-08-18 00:02:05 UTC

Accession Number

CHEM092095

Identification

Common Name

1-Bromo-4-(1-methylpropyl)benzene

Class

Small Molecule

Description

1-Bromo-4-(1-methylpropyl)benzene (C10H13Br) is an organic compound with an average molecular weight of 213.12 g/mol. 1-Bromo-4-(1-methylpropyl)benzene belongs to the phenylpropanes, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid. This compound has been identified in or released from two recorded sources, specifically antennas and relays used in electrical and electronic equipment.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₀H₁₃Br

Average Molecular Mass

213.118 g/mol

Monoisotopic Mass

212.020 g/mol

CAS Registry Number

39220-69-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCC(C)C1=CC=C(Br)C=C1

InChI Identifier

InChI=1/C10H13Br/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8H,3H2,1-2H3

InChI Key

DGZQEAKNZXNTNL-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
1043.0	Log mg/kg	[590:1900]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
506	Antennas	Electrical & Electronic Equipment	Not Available
531	Relays	Electrical & Electronic Equipment	Not Available
624	Merry Go Rounds	Recreation & sports surfaces	Not Available
640	Embroidering And Tufting	Textiles, leather & furnishings	Not Available
647	Multicolour Dyeing	Textiles, leather & furnishings	Not Available
653	Sewing	Textiles, leather & furnishings	Not Available
656	Snap Fasteners	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 2	P00918	Humans	Predicted (SEA)	737.466
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	1164.62
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	1512.45
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	1133.87
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	719.249
Click to view 3D structure	Trace amine-associated receptor 1	Q96RJ0	Humans	Predicted (SEA)	382.084
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	1701.39
Click to view 3D structure	Actin nucleation-promoting factor WASL	O08816	Rattus norvegicus	Predicted (SEA)	7.31783
Click to view 3D structure	Prostaglandin G/H synthase 1	P05979	Ovis aries	Predicted (SEA)	712.165
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	3795.38
Click to view 3D structure	Taste receptor type 2 member 50	P59544	Humans	Predicted (SEA)	13.6236
Click to view 3D structure	Taste receptor type 2 member 45	P59539	Humans	Predicted (SEA)	13.6236
Click to view 3D structure	Taste receptor type 2 member 42	Q7RTR8	Humans	Predicted (SEA)	13.6236
Click to view 3D structure	Taste receptor type 2 member 41	P59536	Humans	Predicted (SEA)	13.6236
Click to view 3D structure	Taste receptor type 2 member 7	Q9NYW3	Humans	Predicted (SEA)	13.6236
Click to view 3D structure	Taste receptor type 2 member 30	P59541	Humans	Predicted (SEA)	13.6236
Click to view 3D structure	Taste receptor type 2 member 60	P59551	Humans	Predicted (SEA)	13.6236
Click to view 3D structure	Taste receptor type 2 member 19	P59542	Humans	Predicted (SEA)	13.6236
Click to view 3D structure	Taste receptor type 2 member 20	P59543	Humans	Predicted (SEA)	13.6236
Click to view 3D structure	Taste receptor type 2 member 1	Q9NYW7	Humans	Predicted (SEA)	13.6236
Click to view 3D structure	Taste receptor type 2 member 40	P59535	Humans	Predicted (SEA)	13.6236
Click to view 3D structure	Taste receptor type 2 member 3	Q9NYW6	Humans	Predicted (SEA)	13.6236
Click to view 3D structure	Taste receptor type 2 member 13	Q9NYV9	Humans	Predicted (SEA)	13.6236
Click to view 3D structure	Taste receptor type 2 member 39	P59534	Humans	Predicted (SEA)	13.6236
Click to view 3D structure	Taste receptor type 2 member 5	Q9NYW4	Humans	Predicted (SEA)	13.6236