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2,3,7,8-Tetrachlorodibenzofuran
51207-31-9 | DTXSID3052147

Searched by CAS-RN: Found 1 result for '51207-31-9'.

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Intrinsic Properties

Molecular Formula: C12H4Cl4O

Average Mass: 305.96 g/mol

Monoisotopic Mass: 303.901626 g/mol

Structural Identifiers

IUPAC Name: 2,3,7,8-Tetrachlorodibenzo[b,d]furan

SMILES: ClC1=CC2=C(C=C1Cl)C1=CC(Cl)=C(Cl)C=C1O2

InChI String: InChI=1S/C12H4Cl4O/c13-7-1-5-6-2-8(14)10(16)4-12(6)17-11(5)3-9(7)15/h1-4H

InChIKey: KSMVNVHUTQZITP-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/DTXSID3052147 (accessed May 21, 2018), 2,3,7,8-Tetrachlorodibenzofuran

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

6.53 (1)

5.99 (5)

-

6.29

6.53

4.61 to 6.45

-

Water Solubility

2.26e-09 (1)

1.26e-08 (4)

-

5.47e-09

2.26e-09

2.22e-09 to 3.71e-08

mol/L

Density

-

1.59 (2)

-

1.59

-

1.55 to 1.63

g/cm^3

Flash Point

-

198 (2)

-

198

-

187 to 209

°C

Melting Point

227 (1)

190 (4)

-

203

227

139 to 215

°C

Boiling Point

-

376 (5)

-

383

-

329 to 421

°C

Surface Tension

-

54.9 (1)

- - - -

dyn/cm

Vapor Pressure

-

3.14e-07 (4)

-

2.93e-07

-

2.05e-08 to 6.48e-07

mmHg

LogKoa: Octanol-Air

10.0 (1)

9.42 (1)

- - - - -

Henry's Law

1.67e-05 (1)

2.89e-05 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.71 (1)

- - - - -

Molar Refractivity

-

73.8 (1)

- - - -

cm^3

Molar Volume

-

188 (1)

- - - -

cm^3

Polarizability

-

29.3 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental

6.53 (1)

-

6.53

Predicted

5.99 (5)

6.29

4.61 to 6.45

Experimental

Source

Result

PhysPropNCCT

6.53

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

6.29

Not Available

Not Available

NICEATM

4.61

Not Available

Available

ACD/Labs Consensus

6.21

Not Available

Not Available

ACD/Labs

6.45

Not Available

Not Available

OPERA

6.41

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental

2.26e-09 (1)

-

2.26e-09

Predicted

1.26e-08 (4)

5.47e-09

2.22e-09 to 3.71e-08

Experimental

Source

Result

PhysPropNCCT

2.26e-09 mol/L

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

7.62e-09 mol/L

Not Available

Not Available

NICEATM

3.71e-08 mol/L

Not Available

Available

TEST

2.22e-09 mol/L

TEST Report

Not Available

OPERA

3.31e-09 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.59 (2)

1.59

1.55 to 1.63

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.63 g/cm^3

Not Available

Not Available

TEST

1.55 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

198 (2)

198

187 to 209

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

209 °C

Not Available

Not Available

TEST

187 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

227 (1)

-

227

Predicted

190 (4)

203

139 to 215

Experimental

Source

Result

PhysPropNCCT

227 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

139 °C

Not Available

Not Available

NICEATM

215 °C

Not Available

Available

TEST

200 °C

TEST Report

Not Available

OPERA

207 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

376 (5)

383

329 to 421

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

383 °C

Not Available

Not Available

NICEATM

329 °C

Not Available

Available

ACD/Labs

421 °C

Not Available

Not Available

TEST

395 °C

TEST Report

Not Available

OPERA

353 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

54.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

54.9 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

3.14e-07 (4)

2.93e-07

2.05e-08 to 6.48e-07

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

5.60e-07 mmHg

Not Available

Available

ACD/Labs

6.48e-07 mmHg

Not Available

Not Available

TEST

2.70e-08 mmHg

TEST Report

Not Available

OPERA

2.05e-08 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental

10.0 (1)

-

-
Predicted

9.42 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

10.0

Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.42

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental

1.67e-05 (1)

-

-
Predicted

2.89e-05 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

1.67e-05 atm-m3/mole

Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.89e-05 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.71 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.71

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

73.8 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

73.8 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

188 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

188 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

29.3 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

29.3 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

243000 (2)

-

243000

-

54600 to 432000

L/kg

Atmos. Hydroxylation Rate

-

9.57e-13 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

12.1 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

3.63 (1)

5.06 (1)

- - - -

days

Bioaccumulation Factor

-

6020 (1)

- - - - -

Bioconcentration Factor

4070 (1)

6520 (5)

-

3740

4070

1080 to 14200

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

243000 (2)

243000

54600 to 432000

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

54600 L/kg

Not Available

Not Available

OPERA

432000 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

9.57e-13 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.57e-13 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

12.1 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

12.1 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental

3.63 (1)

-

-
Predicted

5.06 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

3.63 days

Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.06 days

OPERA Model Report

Available

Bioaccumulation Factor

Average

Median

Range

Experimental - - -
Predicted

6020 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

6020

Not Available

Not Available

Bioconcentration Factor

Average

Median

Range

Experimental

4070 (1)

-

4070

Predicted

6520 (5)

3740

1080 to 14200

Experimental

Source

Result

PhysPropNCCT

4070

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1080

Not Available

Not Available

EPISUITE

11000

Not Available

Not Available

NICEATM

14200

Not Available

Available

TEST

3740

TEST Report

Not Available

OPERA

2650

OPERA Model Report

Available

Found 11 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
2,3,7,8-Tetrachlorodibenzofuran
2,3,7,8-Tetrachlorodibenzo[b,d]furan
Dibenzofuran, 2,3,7,8-tetrachloro-
51207-31-9 Active CAS-RN
Dibenzofuran, 2,3,7,8-tetrachloro-
2,3,7,8-TCDF
BRN 1430934
NCI-C56611
2,3,7,8-Tetrapolychlorinated dibenzofuran
UNII-XZJ41GQI5D FDA Registry Number
PCDF 83
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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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