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2-Amino-5-azotoluene
97-56-3 | DTXSID1020069

Searched by DSSTox_Substance_Id: Found 1 result for 'DTXSID1020069'.

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Intrinsic Properties

Molecular Formula: C14H15N3

Average Mass: 225.295 g/mol

Monoisotopic Mass: 225.126597 g/mol

Structural Identifiers

IUPAC Name: 2-Methyl-4-[(2-methylphenyl)diazenyl]aniline

SMILES: CC1=C(N)C=CC(=C1)N=NC1=C(C)C=CC=C1

InChI String: InChI=1S/C14H15N3/c1-10-5-3-4-6-14(10)17-16-12-7-8-13(15)11(2)9-12/h3-9H,15H2,1-2H3

InChIKey: PFRYFZZSECNQOL-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/DTXSID1020069 (accessed July 16, 2018), 2-Amino-5-azotoluene

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

-

3.71 (5)

-

4.08

-

2.93 to 4.33

-

Water Solubility

-

2.94e-04 (4)

-

2.02e-04

-

1.02e-05 to 7.64e-04

mol/L

Density

-

1.09 (2)

-

1.09

-

1.09 to 1.10

g/cm^3

Flash Point

-

202 (2)

-

202

-

200 to 203

°C

Melting Point

-

116 (4)

-

114

-

108 to 127

°C

Boiling Point

-

358 (5)

-

350

-

322 to 408

°C

Surface Tension

-

40.1 (1)

- - - -

dyn/cm

Vapor Pressure

-

1.51e-06 (4)

-

6.60e-07

-

3.20e-08 to 4.68e-06

mmHg

LogKoa: Octanol-Air

-

8.46 (1)

- - - - -

Henry's Law

-

6.31e-07 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.59 (1)

- - - - -

Molar Refractivity

-

69.6 (1)

- - - -

cm^3

Molar Volume

-

205 (1)

- - - -

cm^3

Polarizability

-

27.6 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

3.71 (5)

4.08

2.93 to 4.33

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

4.29

Not Available

Not Available

NICEATM

2.93

Not Available

Available

ACD/Labs Consensus

4.08

Not Available

Not Available

ACD/Labs

4.33

Not Available

Not Available

OPERA

2.94

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

2.94e-04 (4)

2.02e-04

1.02e-05 to 7.64e-04

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.15e-05 mol/L

Not Available

Not Available

NICEATM

7.64e-04 mol/L

Not Available

Available

TEST

1.02e-05 mol/L

TEST Report

Not Available

OPERA

3.91e-04 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.09 (2)

1.09

1.09 to 1.10

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.10 g/cm^3

Not Available

Not Available

TEST

1.09 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

202 (2)

202

200 to 203

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

200 °C

Not Available

Not Available

TEST

203 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

116 (4)

114

108 to 127

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

116 °C

Not Available

Not Available

NICEATM

111 °C

Not Available

Available

TEST

108 °C

TEST Report

Not Available

OPERA

127 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

358 (5)

350

322 to 408

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

366 °C

Not Available

Not Available

NICEATM

322 °C

Not Available

Available

ACD/Labs

408 °C

Not Available

Not Available

TEST

350 °C

TEST Report

Not Available

OPERA

344 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

40.1 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

40.1 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

1.51e-06 (4)

6.60e-07

3.20e-08 to 4.68e-06

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

5.78e-07 mmHg

Not Available

Available

ACD/Labs

7.42e-07 mmHg

Not Available

Not Available

TEST

3.20e-08 mmHg

TEST Report

Not Available

OPERA

4.68e-06 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

8.46 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.46

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

6.31e-07 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

6.31e-07 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.59 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.59

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

69.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

69.6 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

205 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

205 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

27.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

27.6 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

2920 (2)

-

2920

-

737 to 5090

L/kg

Atmos. Hydroxylation Rate

-

1.93e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

3.88 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

6.90e-01 (1)

- - - -

days

Bioaccumulation Factor

-

425 (1)

- - - - -

Bioconcentration Factor

-

429 (5)

-

88.9

-

10.0 to 1570

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

2920 (2)

2920

737 to 5090

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

5090 L/kg

Not Available

Not Available

OPERA

737 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.93e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.93e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

3.88 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.88 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

6.90e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

6.90e-01 days

OPERA Model Report

Available

Bioaccumulation Factor

Average

Median

Range

Experimental - - -
Predicted

425 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

425

Not Available

Not Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

429 (5)

88.9

10.0 to 1570

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

424

Not Available

Not Available

EPISUITE

10.0

Not Available

Not Available

NICEATM

1570

Not Available

Available

TEST

49.4

TEST Report

Not Available

OPERA

88.9

OPERA Model Report

Available

Found 34 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
2-Amino-5-azotoluene
2-Methyl-4-[(2-methylphenyl)diazenyl]aniline
Benzenamine, 2-methyl-4-[2-(2-methylphenyl)diazenyl]-
97-56-3 Active CAS-RN
C.I. Solvent yellow 3
4-16-00-00528 Beilstein Registry Number
C.I. 11160B
4'-Amino-2:3'-azotoluene
o-Aminoazotoluol
BRN 0745567
CI Solvent Yellow 3
Fast Garnet GBC Base
Fast Oil Yellow
2-Methyl-4-((2-methylphenyl)azo)benzenamine
NSC 1797
Oil Yellow C
Oil Yellow I
Oil Yellow 2R
Oil Yellow 2681
Oil Yellow AT
Orthoaminoasotoluene
Orthoaminoasotoluol
ortho-Tolueneazo-ortho-toluidine
Sudan Yellow RRA
o-Tolueneazo-o-toluidine
Tulabase Fast Garnet GB
Tulabase Fast Garnet GBC
Waxakol Yellow NL
o-Amidoazotoluol
o-Aminoazotolueno
ortho-Toluol-azo-ortho-toluidin
o-Toluol-azo-o-toluidin
Zlut rozpoustedlova 3
28676-13-3 Deleted CAS-RN
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Toxics Release Inventory


National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

306th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

1.90e-05

1.58e-03

Ages 12-19

1.68e-05

8.70e-04

Ages 20-65

2.16e-05

1.61e-03

Ages 65+

1.13e-05

8.54e-04

BMI > 30

1.47e-05

9.75e-04

BMI < 30

2.11e-05

1.15e-03

Repro. Age Females

3.40e-05

3.06e-03

Females

3.10e-05

2.18e-03

Males

1.24e-05

6.34e-04

Total

1.71e-05

1.05e-03

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