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9-(4-Chlorophenyl)-9H-fluorene
21846-07-1 | DTXSID20176251

Searched by CAS-RN: Found 1 result for '21846-07-1'.

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Intrinsic Properties

Molecular Formula: C19H13Cl

Average Mass: 276.76 g/mol

Monoisotopic Mass: 276.070578 g/mol

Structural Identifiers

IUPAC Name: 9-(4-Chlorophenyl)-9H-fluorene

SMILES: ClC1=CC=C(C=C1)C1C2=CC=CC=C2C2=CC=CC=C12

InChI String: InChI=1S/C19H13Cl/c20-14-11-9-13(10-12-14)19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12,19H

InChIKey: FJJWRQWJKGDTNN-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/DTXSID20176251 (accessed April 22, 2018), 9-(4-Chlorophenyl)-9H-fluorene

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

Loaded based on no conflicts with this data in chemid and pubchem

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

-

5.62 (5)

-

5.79

-

4.89 to 6.01

-

Water Solubility

-

2.45e-07 (4)

-

2.11e-07

-

3.45e-08 to 5.24e-07

mol/L

Density

-

1.21 (1)

- - - -

g/cm^3

Flash Point

-

193 (2)

-

193

-

185 to 200

°C

Melting Point

-

124 (4)

-

119

-

95.4 to 165

°C

Boiling Point

-

385 (5)

-

399

-

326 to 409

°C

Thermal Conductivity

-

130 (1)

- - - -

mW/(m*K)

Vapor Pressure

-

2.38e-06 (4)

-

1.14e-06

-

2.11e-08 to 7.19e-06

mmHg

LogKoa: Octanol-Air

-

9.69 (1)

- - - - -

Henry's Law

-

2.14e-06 (1)

- - - -

atm-m3/mole

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

5.62 (5)

5.79

4.89 to 6.01

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

6.01

Not Available

Not Available

NICEATM

4.89

Not Available

Available

ACD/Labs Consensus

5.55

Not Available

Not Available

ACD/Labs

5.85

Not Available

Not Available

OPERA

5.79

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

2.45e-07 (4)

2.11e-07

3.45e-08 to 5.24e-07

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3.45e-08 mol/L

Not Available

Not Available

NICEATM

5.73e-08 mol/L

Not Available

Available

OPERA

3.65e-07 mol/L

OPERA Model Report

Available

TEST

5.24e-07 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.21 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

1.21 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

193 (2)

193

185 to 200

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

185 °C

Not Available

Not Available

TEST

200 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

124 (4)

119

95.4 to 165

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

140 °C

Not Available

Not Available

NICEATM

165 °C

Not Available

Available

OPERA

97.2 °C

OPERA Model Report

Available

TEST

95.4 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

385 (5)

399

326 to 409

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

399 °C

Not Available

Not Available

NICEATM

326 °C

Not Available

Available

ACD/Labs

404 °C

Not Available

Not Available

OPERA

409 °C

OPERA Model Report

Available

TEST

388 °C

TEST Report

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

130 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

130 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

2.38e-06 (4)

1.14e-06

2.11e-08 to 7.19e-06

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

5.45e-08 mmHg

Not Available

Available

ACD/Labs

2.23e-06 mmHg

Not Available

Not Available

OPERA

2.11e-08 mmHg

OPERA Model Report

Available

TEST

7.19e-06 mmHg

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

9.69 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.69

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

2.14e-06 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.14e-06 atm-m3/mole

OPERA Model Report

Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

182000 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

9.05e-12 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

41.0 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.63 (1)

- - - -

days

Bioconcentration Factor

-

2000 (3)

-

2140

-

466 to 3390

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

182000 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

182000 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

9.05e-12 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.05e-12 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

41.0 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

41.0 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.63 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.63 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

2000 (3)

2140

466 to 3390

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

466

Not Available

Available

OPERA

2140

OPERA Model Report

Available

TEST

3390

TEST Report

Not Available

Found 3 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
9-(4-Chlorophenyl)-9H-fluorene
9H-Fluorene, 9-(4-chlorophenyl)-
21846-07-1 Active 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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