Benzylbromomagnesium (CED0117467)

Record Information
Version1.0
Creation Date2026-04-05 19:39:45 UTC
Update Date2026-04-05 19:39:45 UTC
SynCED IDCED0117467
Secondary Accession Numbers
  • CHEM107350
Identification
Common NameBenzylbromomagnesium
ClassSmall Molecule
Description
Benzylbromomagnesium is a compound with the chemical formula C7H7BrMg.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC7H7BrMg
Average Molecular MassNot Available
Monoisotopic MassNot Available
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1/C7H7.BrH.Mg/c1-7-5-3-2-4-6-7;;/h2-6H,1H2;1H;/q;;+1/p-1/rC7H7BrMg/c8-9-6-7-4-2-1-3-5-7/h1-5H,6H2
InChI KeyUHPSYHZSDNXIHK-UHFFFAOYSA-M
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
1230.0 Log mg/kg [690:2200]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementNot Available
CEDs000521Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.Electrical & Electronic EquipmentNot Available
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionNot Available
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingNot Available
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Trace amine-associated receptor 1 structureClick to view 3D structureTrace amine-associated receptor 1Q96RJ0HumansPredicted (SEA)
Prediction Confidence Score
0.327
Applicability Domain
0.375
Statistical Significance
0.002
Supporting Reference Compounds
63
E-value
15.7255
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP14842Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.375
Statistical Significance
0.0455
Supporting Reference Compounds
380
E-value
354.603
Cytochrome P450 2A6 structureClick to view 3D structureCytochrome P450 2A6P11509HumansPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.375
Statistical Significance
0.002
Supporting Reference Compounds
68
E-value
15.3363
Click to view 3D structureAldehyde dehydrogenase 1A1P51647Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.292 Low confidence
Statistical Significance
5.00e-05
Supporting Reference Compounds
1
E-value
0.389246
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.346
Statistical Significance
0.0757
Supporting Reference Compounds
562
E-value
589.63
Click to view 3D structureSigma non-opioid intracellular receptor 1Q60492Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.346
Statistical Significance
0.0492
Supporting Reference Compounds
229
E-value
382.94
Glucose-6-phosphatase catalytic subunit 1 structureClick to view 3D structureGlucose-6-phosphatase catalytic subunit 1P35575HumansPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.281 Low confidence
Statistical Significance
1.50e-04
Supporting Reference Compounds
1
E-value
1.16774
Click to view 3D structureSodium-dependent dopamine transporterP23977Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.276
Applicability Domain
0.333
Statistical Significance
0.0335
Supporting Reference Compounds
203
E-value
261.028
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.275
Applicability Domain
0.333
Statistical Significance
0.0707
Supporting Reference Compounds
451
E-value
550.394
Click to view 3D structureTrace amine-associated receptor 1Q923Y9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.375
Statistical Significance
0.0025
Supporting Reference Compounds
18
E-value
19.618
Click to view 3D structureAmine oxidase [flavin-containing] BP19643Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.333
Statistical Significance
0.0155
Supporting Reference Compounds
77
E-value
120.355
Click to view 3D structureMast cell carboxypeptidase AP15088HumansPredicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.281 Low confidence
Statistical Significance
0.0038
Supporting Reference Compounds
2
E-value
29.972
Trace amine-associated receptor 1 structureClick to view 3D structureTrace amine-associated receptor 1Q923Y8Mus musculusPredicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.375
Statistical Significance
0.0023
Supporting Reference Compounds
18
E-value
17.7496
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.29 Low confidence
Statistical Significance
0.0533
Supporting Reference Compounds
207
E-value
414.781
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.333
Statistical Significance
0.0964
Supporting Reference Compounds
315
E-value
750.778
Click to view 3D structureSodium-dependent serotonin transporterP31652Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.333
Statistical Significance
0.0748
Supporting Reference Compounds
297
E-value
582.468
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)
Prediction Confidence Score
0.26
Applicability Domain
0.333
Statistical Significance
0.065
Supporting Reference Compounds
241
E-value
506.02
Transient receptor potential cation channel subfamily A member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily A member 1O75762HumansPredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.321
Statistical Significance
0.0069
Supporting Reference Compounds
70
E-value
53.4046
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21396Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.333
Statistical Significance
0.0196
Supporting Reference Compounds
66
E-value
152.974
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.333
Statistical Significance
0.1406
Supporting Reference Compounds
506
E-value
1094.33
Carboxypeptidase A1 structureClick to view 3D structureCarboxypeptidase A1P00730Bos taurusPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.281 Low confidence
Statistical Significance
0.0046
Supporting Reference Compounds
9
E-value
35.6549
Click to view 3D structureCytochrome P450 2A5P20852Mus musculusPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.375
Statistical Significance
0.001
Supporting Reference Compounds
11
E-value
8.17417
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.333
Statistical Significance
0.3778
Supporting Reference Compounds
1130
E-value
2941.53
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP08909RatPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.333
Statistical Significance
0.0815
Supporting Reference Compounds
185
E-value
634.393
Click to view 3D structureEukaryotic translation initiation factor 4 gamma 2Q62448Mus musculusPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.25 Low confidence
Statistical Significance
0.0056
Supporting Reference Compounds
1
E-value
43.9848
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available