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Basic Blue 7
2390-60-5 | DTXSID5038888

Searched by Approved Name: Found 1 result for 'Basic Blue 7'.

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Intrinsic Properties

Molecular Formula: C33H40ClN3

Average Mass: 514.15 g/mol

Monoisotopic Mass: 513.291076 g/mol

Structural Identifiers

IUPAC Name: 4-{[4-(Diethylamino)phenyl][4-(ethylamino)naphthalen-1-yl]methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium chloride

SMILES: [Cl-].CCNC1=CC=C(C(C2=CC=C(C=C2)N(CC)CC)=C2C=CC(C=C2)=[N+](CC)CC)C2=C1C=CC=C2

InChI String: InChI=1S/C33H39N3.ClH/c1-6-34-32-24-23-31(29-13-11-12-14-30(29)32)33(25-15-19-27(20-16-25)35(7-2)8-3)26-17-21-28(22-18-26)36(9-4)10-5;/h11-24H,6-10H2,1-5H3;1H

InChIKey: ROVRRJSRRSGUOL-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/DTXSID5038888 (accessed April 22, 2018), Basic Blue 7

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

-

4.01 (3)

-

4.06

-

1.59 to 6.38

-

Water Solubility

-

2.83e-06 (4)

-

1.89e-06

-

1.82e-07 to 7.36e-06

mol/L

Density

-

1.05 (1)

- - - -

g/cm^3

Flash Point

-

309 (1)

- - - -

°C

Melting Point

-

208 (4)

-

179

-

142 to 334

°C

Boiling Point

-

516 (4)

-

479

-

346 to 760

°C

Vapor Pressure

-

3.01e-10 (3)

-

3.53e-10

-

6.25e-11 to 4.88e-10

mmHg

LogKoa: Octanol-Air

-

10.2 (1)

- - - - -

Henry's Law

-

4.25e-08 (1)

- - - -

atm-m3/mole

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

4.01 (3)

4.06

1.59 to 6.38

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

4.06

Not Available

Not Available

NICEATM

1.59

Not Available

Available

OPERA

6.38

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

2.83e-06 (4)

1.89e-06

1.82e-07 to 7.36e-06

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3.83e-07 mol/L

Not Available

Not Available

NICEATM

7.36e-06 mol/L

Not Available

Available

TEST

1.82e-07 mol/L

TEST Report

Not Available

OPERA

3.39e-06 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.05 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

1.05 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

309 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

309 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

208 (4)

179

142 to 334

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

334 °C

Not Available

Not Available

NICEATM

142 °C

Not Available

Available

TEST

169 °C

TEST Report

Not Available

OPERA

188 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

516 (4)

479

346 to 760

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

760 °C

Not Available

Not Available

NICEATM

346 °C

Not Available

Available

TEST

551 °C

TEST Report

Not Available

OPERA

408 °C

OPERA Model Report

Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

3.01e-10 (3)

3.53e-10

6.25e-11 to 4.88e-10

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

3.53e-10 mmHg

Not Available

Available

TEST

6.25e-11 mmHg

TEST Report

Not Available

OPERA

4.88e-10 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

10.2 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

10.2

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

4.25e-08 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.25e-08 atm-m3/mole

OPERA Model Report

Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

132000 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

7.82e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

5.05 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.40 (1)

- - - -

days

Bioconcentration Factor

-

21700 (3)

-

396

-

43.9 to 64800

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

132000 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

132000 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

7.82e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.82e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

5.05 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.05 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.40 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.40 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

21700 (3)

396

43.9 to 64800

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

64800

Not Available

Available

TEST

43.9

TEST Report

Not Available

OPERA

396

OPERA Model Report

Available

Found 42 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Basic Blue 7
4-{[4-(Diethylamino)phenyl][4-(ethylamino)naphthalen-1-yl]methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium chloride
Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1)
2390-60-5 Active CAS-RN
Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride
Aizen Victoria Blue BO
Aizen Victoria Pure Blue BOH
Brilliant Victoria Blue RS
Brilliant Victoria Blue RB
Calcozine Pure Blue BO
EINECS 219-232-0
Eljon Blue Toner
Hidaco Victoria Blue BGO
Mitsui Victoria Pure Blue BO
No. 3772 Forthbrite Blue B
NSC 51534
Sicilian Blue X-2758
Silosuper Blue B
Victoria Blue BO
Victoria Blue BON 110
Victoria Blue FBO
Victoria Blue, Green Shade
Victoria Pure Blue
Victoria Pure Blue BGO
Victoria Pure Blue BO
Victoria Pure Blue BO CI 42595
Victoria Pure Blue BOC
Victoria Pure Blue BOD
Victoria Pure Blue BON
Victoria Pure Blue BOP
Victoria Pure Blue FBO
Victoria Pure Blue RB
Victoria Pure Ink Blue BO
Victoria Pure Lake Blue
Victoria Pure Lake Blue BO
UNII-30F6F48H95 FDA Registry Number
213762-89-1 Deleted CAS-RN
336110-89-5 Deleted CAS-RN
51938-69-3 Deleted CAS-RN
54066-28-3 Deleted CAS-RN
57657-49-5 Deleted CAS-RN
72175-85-0 Deleted CAS-RN
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

1038th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

4.13e-07

4.09e-05

Ages 12-19

5.36e-07

6.24e-05

Ages 20-65

5.62e-07

4.55e-05

Ages 65+

4.47e-07

5.45e-05

BMI > 30

4.29e-07

3.65e-05

BMI < 30

4.72e-07

7.16e-05

Repro. Age Females

1.03e-06

1.81e-04

Females

6.77e-07

8.42e-05

Males

2.51e-07

3.03e-05

Total

5.98e-07

5.11e-05

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Executive Summary

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