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Midaflur
23757-42-8 | DTXSID50178425

Searched by Approved Name: Found 1 result for 'Midaflur'.

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Intrinsic Properties

Molecular Formula: C7H3F12N3

Average Mass: 357.103 g/mol

Monoisotopic Mass: 357.013535 g/mol

Structural Identifiers

IUPAC Name: 2,2,5,5-Tetrakis(trifluoromethyl)-2,5-dihydro-1H-imidazol-4-amine

SMILES: NC1=NC(NC1(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F

InChI String: InChI=1S/C7H3F12N3/c8-4(9,10)2(5(11,12)13)1(20)21-3(22-2,6(14,15)16)7(17,18)19/h22H,(H2,20,21)

InChIKey: UODIMZBRRYXRQZ-UHFFFAOYSA-N

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Structural Skeleton Full Structure

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Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID50178425 (accessed April 24, 2018), Midaflur

Data Quality

Level 1:Expert curated, highest confidence in accuracy and consistency of unique chemical identifiers

Level 2:Expert curated, unique chemical identifiers using multiple sources

Level 3:Programmatically curated from high quality EPA source, unique chemical identifiers have no conflicts in ChemID and PubChem

Level 4:Programmatically curated from ChemID, unique chemical identifiers have no conflicts in PubChem

Level 5:Programmatically curated from ACToR or PubChem, unique chemical identifiers with low confidence, single public source

No Quality Control Notes.

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

3.35 (1)

3.13 (2)

-

3.13

3.35

2.93 to 3.32

-

Water Solubility

-

4.17e-03 (2)

-

4.17e-03

-

2.16e-05 to 8.32e-03

mol/L

Melting Point

-

112 (2)

-

112

-

31.3 to 192

°C

Boiling Point

-

158 (2)

-

158

-

118 to 198

°C

Vapor Pressure

-

1.52e-01 (1)

- - - -

mmHg

LogKoa: Octanol-Air

-

6.45 (1)

- - - - -

Henry's Law

-

3.24e-06 (1)

- - - -

atm-m3/mole

LogP: Octanol-Water

Average

Median

Range

Experimental

3.35 (1)

-

3.35

Predicted

3.13 (2)

3.13

2.93 to 3.32

Experimental

Source

Result

PhysPropNCCT

3.35

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

2.93

Not Available

Not Available

OPERA

3.32

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

4.17e-03 (2)

4.17e-03

2.16e-05 to 8.32e-03

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

2.16e-05 mol/L

Not Available

Not Available

OPERA

8.32e-03 mol/L

OPERA Model Report

Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

112 (2)

112

31.3 to 192

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

31.3 °C

Not Available

Not Available

OPERA

192 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

158 (2)

158

118 to 198

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

198 °C

Not Available

Not Available

OPERA

118 °C

OPERA Model Report

Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

1.52e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.52e-01 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

6.45 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

6.45

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

3.24e-06 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.24e-06 atm-m3/mole

OPERA Model Report

Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

1830 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.99e-13 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

4.98 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

4.02e-01 (1)

- - - -

days

Bioconcentration Factor

-

2.57 (1)

- - - - -

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

1830 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1830 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.99e-13 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.99e-13 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

4.98 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.98 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

4.02e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.02e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

2.57 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.57

OPERA Model Report

Available

Found 12 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Midaflur
2,2,5,5-Tetrakis(trifluoromethyl)-2,5-dihydro-1H-imidazol-4-amine
1H-Imidazol-4-amine, 2,5-dihydro-2,2,5,5-tetrakis(trifluoromethyl)-
23757-42-8 Active CAS-RN
1H-Imidazol-4-amine, 2,5-dihydro-2,2,5,5-tetrakis(trifluoromethyl)-
3-Imidazoline, 4-amino-2,2,5,5-tetrakis(trifluoromethyl)-
4-Amino-2,2,5,5-tetrakis(trifluoromethyl)-3-imidazoline
5-Imino-2,2,4,4-tetrakis(trifluoromethyl)imidazolidine
EXP 338
5-Amino-2,2,4,4-tetrakis(trifluoromethyl)imidazolidine
Midaflurum
14372-89-5 Deleted CAS-RN
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Exposure Predictions

There is no exposure data available.

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Executive Summary

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