Borotrifluoridiamine adduct (CED0000737)

Record Information

Version

1.0

Creation Date

2026-04-06 07:49:21 UTC

Update Date

2026-04-17 18:43:11 UTC

SynCED ID

CED0000737

Secondary Accession Numbers

CHEM120021

Identification

Common Name

Borotrifluoridiamine adduct

Class

Small Molecule

Description

Borotrifluoridiamine adduct (C7H9BF3N) is a chemical compound with an average molecular weight of 174.96 g/mol. Borotrifluoridiamine adduct belongs to the phenylmethylamines, a subclass of benzene and substituted derivatives within the organic compounds. It is categorized under the superclass of benzenoids. This substance has been found in or released from one recorded source: electrical and electronic equipment coils.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₉BF₃N

Average Molecular Mass

174.960 g/mol

Monoisotopic Mass

175.078 g/mol

CAS Registry Number

696-99-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

FB(F)F.NCC1=CC=CC=C1

InChI Identifier

InChI=1S/C7H9N.BF3/c8-6-7-4-2-1-3-5-7;2-1(3)4/h1-5H,6,8H2;

InChI Key

YRZFHTRSHNGOSR-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

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	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000508	Coils?Coils are components used in various electrical and electronic applications, such as transformers, inductors, and motors.	Electrical & Electronic Equipment	Not Available
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	Not Available
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	Not Available
CEDs000521	Fixed 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 Equipment	Not Available
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	Not Available
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	Not Available

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	Trace amine-associated receptor 1	Q96RJ0	Humans	Predicted (SEA)	Prediction Confidence Score 0.383 Applicability Domain 0.478 Statistical Significance 8.40e-04 Supporting Reference Compounds 63 E-value 6.53933
Click to view 3D structure	Cytochrome P450 2A6	P11509	Humans	Predicted (SEA)	Prediction Confidence Score 0.376 Applicability Domain 0.478 Statistical Significance 2.00e-04 Supporting Reference Compounds 68 E-value 1.55698
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.357 Applicability Domain 0.478 Statistical Significance 0.0152 Supporting Reference Compounds 380 E-value 118.564
Click to view 3D structure	Trace amine-associated receptor 1	Q923Y8	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.336 Applicability Domain 0.478 Statistical Significance 0.0011 Supporting Reference Compounds 18 E-value 8.71911
Click to view 3D structure	Trace amine-associated receptor 1	Q923Y9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.334 Applicability Domain 0.478 Statistical Significance 8.60e-04 Supporting Reference Compounds 18 E-value 6.69503
Click to view 3D structure	Alanine--glyoxylate aminotransferase	P21549	Humans	Predicted (SEA)	Prediction Confidence Score 0.334 Applicability Domain 0.355 Statistical Significance 1.00e-04 Supporting Reference Compounds 2 E-value 0.778492
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.423 Statistical Significance 0.0123 Supporting Reference Compounds 203 E-value 95.6767
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.321 Applicability Domain 0.37 Statistical Significance 0.0803 Supporting Reference Compounds 1245 E-value 625.363
Click to view 3D structure	Cytochrome P450 2A5	P20852	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.317 Applicability Domain 0.478 Statistical Significance 1.10e-04 Supporting Reference Compounds 11 E-value 0.856341
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.37 Statistical Significance 0.0617 Supporting Reference Compounds 825 E-value 480.096
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.302 Applicability Domain 0.357 Statistical Significance 0.0134 Supporting Reference Compounds 193 E-value 104.396
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.301 Applicability Domain 0.357 Statistical Significance 0.0307 Supporting Reference Compounds 332 E-value 239.386
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	Prediction Confidence Score 0.298 Applicability Domain 0.37 Statistical Significance 0.022 Supporting Reference Compounds 241 E-value 171.035
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.357 Statistical Significance 0.0386 Supporting Reference Compounds 372 E-value 300.187
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	Prediction Confidence Score 0.295 Applicability Domain 0.37 Statistical Significance 0.039 Supporting Reference Compounds 315 E-value 303.378
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.294 Applicability Domain 0.423 Statistical Significance 0.043 Supporting Reference Compounds 451 E-value 334.44
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.291 Applicability Domain 0.37 Statistical Significance 0.1412 Supporting Reference Compounds 1130 E-value 1099.0
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.288 Applicability Domain 0.357 Statistical Significance 0.0618 Supporting Reference Compounds 472 E-value 481.03
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.357 Statistical Significance 0.029 Supporting Reference Compounds 242 E-value 225.918
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.423 Statistical Significance 0.0424 Supporting Reference Compounds 297 E-value 330.159
Click to view 3D structure	Cytochrome P450 2E1	P05181	Humans	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.367 Statistical Significance 0.001 Supporting Reference Compounds 31 E-value 8.01847
Click to view 3D structure	Cytochrome P450 2B6	P20813	Humans	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.367 Statistical Significance 0.0079 Supporting Reference Compounds 150 E-value 61.7344
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.333 Statistical Significance 0.0578 Supporting Reference Compounds 407 E-value 450.358
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.37 Statistical Significance 0.2621 Supporting Reference Compounds 1538 E-value 2040.58
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.333 Statistical Significance 0.0934 Supporting Reference Compounds 562 E-value 726.956