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D & C Green No. 6
128-80-3 | DTXSID9044376

Searched by Approved Name: Found 1 result for 'D & C Green No. 6'.

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Intrinsic Properties

Molecular Formula: C28H22N2O2

Average Mass: 418.496 g/mol

Monoisotopic Mass: 418.168128 g/mol

Structural Identifiers

IUPAC Name: 1,4-Bis(4-methylanilino)anthracene-9,10-dione

SMILES: CC1=CC=C(NC2=CC=C(NC3=CC=C(C)C=C3)C3=C2C(=O)C2=C(C=CC=C2)C3=O)C=C1

InChI String: InChI=1S/C28H22N2O2/c1-17-7-11-19(12-8-17)29-23-15-16-24(30-20-13-9-18(2)10-14-20)26-25(23)27(31)21-5-3-4-6-22(21)28(26)32/h3-16,29-30H,1-2H3

InChIKey: TVRGPOFMYCMNRB-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/DTXSID9044376 (accessed April 25, 2018), D & C Green No. 6

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

-

5.90 (5)

-

5.41

-

4.30 to 8.69

-

Water Solubility

-

6.92e-07 (4)

-

5.08e-08

-

1.67e-11 to 2.67e-06

mol/L

Density

-

1.28 (2)

-

1.28

-

1.28 to 1.29

g/cm^3

Flash Point

-

231 (2)

-

231

-

197 to 266

°C

Melting Point

218 (2)

236 (4)

218

236

218

215 to 259

°C

Boiling Point

-

522 (5)

-

545

-

349 to 634

°C

Surface Tension

-

63.0 (1)

- - - -

dyn/cm

Vapor Pressure

-

2.75e-11 (4)

-

5.61e-13

-

5.70e-16 to 1.09e-10

mmHg

LogKoa: Octanol-Air

-

9.72 (1)

- - - - -

Henry's Law

-

9.68e-10 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.71 (1)

- - - - -

Molar Refractivity

-

127 (1)

- - - -

cm^3

Molar Volume

-

324 (1)

- - - -

cm^3

Polarizability

-

50.4 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

5.90 (5)

5.41

4.30 to 8.69

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

8.69

Not Available

Not Available

NICEATM

4.30

Not Available

Available

ACD/Labs Consensus

5.80

Not Available

Not Available

ACD/Labs

5.41

Not Available

Not Available

OPERA

5.31

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

6.92e-07 (4)

5.08e-08

1.67e-11 to 2.67e-06

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.67e-11 mol/L

Not Available

Not Available

NICEATM

7.18e-08 mol/L

Not Available

Available

TEST

2.99e-08 mol/L

TEST Report

Not Available

OPERA

2.67e-06 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.28 (2)

1.28

1.28 to 1.29

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.29 g/cm^3

Not Available

Not Available

TEST

1.28 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

231 (2)

231

197 to 266

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

197 °C

Not Available

Not Available

TEST

266 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

218 (2)

218

218

Predicted

236 (4)

236

215 to 259

Experimental

Source

Result

Jean-Claude Bradley Open Melting Point Dataset

218 °C

PhysPropNCCT

218 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

259 °C

Not Available

Not Available

NICEATM

219 °C

Not Available

Available

TEST

252 °C

TEST Report

Not Available

OPERA

215 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

522 (5)

545

349 to 634

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

598 °C

Not Available

Not Available

NICEATM

349 °C

Not Available

Available

ACD/Labs

634 °C

Not Available

Not Available

TEST

545 °C

TEST Report

Not Available

OPERA

483 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

63.0 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

63.0 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

2.75e-11 (4)

5.61e-13

5.70e-16 to 1.09e-10

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.11e-12 mmHg

Not Available

Available

ACD/Labs

5.70e-16 mmHg

Not Available

Not Available

TEST

9.73e-15 mmHg

TEST Report

Not Available

OPERA

1.09e-10 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

9.72 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.72

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

9.68e-10 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.68e-10 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

127 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

127 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

324 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

324 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

50.4 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

50.4 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

42800 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

2.01e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

42.9 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

3.24e-01 (1)

- - - -

days

Bioconcentration Factor

-

3120 (3)

-

222

-

52.7 to 9100

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

42800 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

42800 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

2.01e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.01e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

42.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

42.9 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

3.24e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.24e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

3120 (3)

222

52.7 to 9100

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

9100

Not Available

Available

TEST

52.7

TEST Report

Not Available

OPERA

222

OPERA Model Report

Available

Found 81 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
D & C Green No. 6
1,4-Bis(4-methylanilino)anthracene-9,10-dione
9,10-Anthracenedione, 1,4-bis[(4-methylphenyl)amino]-
128-80-3 Active CAS-RN
9,10-Anthracenedione, 1,4-bis[(4-methylphenyl)amino]-
1,4-Bis(4'-methylanilino)anthraquinone
1,4-bis(p-tolilamino)antraquinona
1,4-Bis(p-toluidino) anthraquinone
1,4-Bis(p-toluidino)anthraquinone
1,4-Bis(p-tolylamino)anthrachinon
1,4-Bis(p-tolylamino)anthraquinone
1,4-Bis[(4-methylphenyl)amino]anthraquinone
1,4-Bis-p-toluidino-9,10-anthraquinone
1,4-Di-(4'-toluidino)anthraquinone
1,4-Di-p-toluidinoanthraquinone
11091 Green
Ahcoquinone Cyanine Green Base
Alizarine Cyanine Green Base
Alizarine Cyanine Green G Fat Soluble
Alizarine Green G Base
Amaplast Green OZ
Anthraquinone Green G Base
Anthraquinone, 1,4-di-p-toluidino-
Arlosol Green B
Arlosol Green BS
Arlosol Green BSS
C.I. Disperse Green 6:1
C.I. solvent green 003
C.I. SOLVENT GREEN 3
C.I. SOLVENT GREEN 3, 1,4-BIS[(4-METHYLPHENYL) AMINO]-ANTHRACENE-9,10-DIONE
Ceres Green BB
Cyanine Green G base
D and C Green No. 6
D&C Green No. 6
Diaresin Green C
Fat Soluble Anthraquinone Green
Fat Soluble Green Anthraquinone
FD and C Green no. 6
Green No. 202
Kayaset Green A-B
Macrolex Green 5B
Nitro Fast Green GB
Nitro Fast Green GSB
NSC 84207
Oil Green 530
Oil Green 5602
Oplas Green 533
Organol Fast Green J
Organol Green J
Orient Oil Green 530
Quinazarin green
QUINAZARINE GREEN
Quinizarin Green SS
Quinizarine Green Base
Sandoplast Green GSB
Solvent Green 3
Sudan Green 4B
Sumiplast Green G
Waxoline Green 6GFW
Waxoline Green G
D&C Green 6
Anthcoquinone Cyanine Green Base
1,4-Bis(p-tolylamine)anthraquinone
BRN 2227927
EINECS 204-909-5
Fat-soluble Anthraquinone Green
Macro-lex Green 5B
Micro-lex Green 5B
Toyo Oriental Oil Blue G
Waxoline Green
Bis-1,4-p-tolylaminoanthrchinon
Zelen rozpoustedlova 3
Zelen sudan 4B
1,4-Di(4'-toluidino)anthraquinone
UNII-4QP5U84YF7 FDA Registry Number
Solvaperm Green GSB
201097-94-1 Deleted CAS-RN
54848-06-5 Deleted CAS-RN
60880-53-7 Deleted CAS-RN
64553-67-9 Deleted CAS-RN
95660-38-1 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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