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4-Methyl-2-nitroaniline
89-62-3 | DTXSID2025632

Searched by CAS-RN: Found 1 result for '89-62-3'.

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Intrinsic Properties

Molecular Formula: C7H8N2O2

Average Mass: 152.153 g/mol

Monoisotopic Mass: 152.058578 g/mol

Structural Identifiers

IUPAC Name: 4-Methyl-2-nitroaniline

SMILES: CC1=CC(=C(N)C=C1)[N+]([O-])=O

InChI String: InChI=1S/C7H8N2O2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3

InChIKey: DLURHXYXQYMPLT-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/DTXSID2025632 (accessed May 25, 2018), 4-Methyl-2-nitroaniline

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

-

2.00 (5)

-

1.95

-

1.49 to 2.57

-

Water Solubility

-

3.60e-03 (4)

-

3.66e-03

-

1.25e-03 to 5.85e-03

mol/L

Density

-

1.28 (2)

-

1.28

-

1.27 to 1.28

g/cm^3

Flash Point

-

137 (2)

-

137

-

136 to 137

°C

Melting Point

110 (11)

92.4 (4)

117

93.1

45.5 to 117

84.5 to 99.2

°C

Boiling Point

203 (4)

297 (5)

169

296

169 to 306

288 to 307

°C

Surface Tension

-

54.9 (1)

- - - -

dyn/cm

Thermal Conductivity

-

156 (1)

- - - -

mW/(m*K)

Vapor Pressure

-

2.49e-03 (4)

-

9.00e-04

-

6.51e-05 to 8.10e-03

mmHg

Viscosity

-

5.68 (1)

- - - -

cP

LogKoa: Octanol-Air

-

7.50 (1)

- - - - -

Henry's Law

-

9.30e-08 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.62 (1)

- - - - -

Molar Refractivity

-

41.9 (1)

- - - -

cm^3

Molar Volume

-

120 (1)

- - - -

cm^3

Polarizability

-

16.6 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

2.00 (5)

1.95

1.49 to 2.57

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

2.57

Not Available

Not Available

NICEATM

1.71

Not Available

Available

ACD/Labs Consensus

1.95

Not Available

Not Available

ACD/Labs

2.29

Not Available

Not Available

OPERA

1.49

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

3.60e-03 (4)

3.66e-03

1.25e-03 to 5.85e-03

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3.14e-03 mol/L

Not Available

Not Available

NICEATM

5.85e-03 mol/L

Not Available

Available

TEST

4.18e-03 mol/L

TEST Report

Not Available

OPERA

1.25e-03 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.28 (2)

1.28

1.27 to 1.28

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.27 g/cm^3

Not Available

Not Available

TEST

1.28 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

137 (2)

137

136 to 137

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

137 °C

Not Available

Not Available

TEST

136 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

110 (11)

117

45.5 to 117

Predicted

92.4 (4)

93.1

84.5 to 99.2

Experimental

Source

Result

Jean-Claude Bradley Open Melting Point Dataset

45.5 °C

Jean-Claude Bradley Open Melting Point Dataset

117 °C

Oxford University Chemical Safety Data (No longer updated)

117 °C

TCI

116 °C

Biosynth

115 °C

Merck Millipore

115 °C

SynQuest

117 °C

SynQuest

117 °C

Alfa Aesar

117 °C

Alfa Aesar

117 °C

Sinova

115 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

84.5 °C

Not Available

Not Available

NICEATM

91.8 °C

Not Available

Available

TEST

94.3 °C

TEST Report

Not Available

OPERA

99.2 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental

203 (4)

169

169 to 306

Predicted

297 (5)

296

288 to 307

Experimental

Source

Result

Alfa Aesar

169 °C

Alfa Aesar

169 °C

SynQuest

169 °C

Biosynth

306 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

288 °C

Not Available

Not Available

NICEATM

307 °C

Not Available

Available

ACD/Labs

303 °C

Not Available

Not Available

TEST

296 °C

TEST Report

Not Available

OPERA

293 °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

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

156 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

156 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

2.49e-03 (4)

9.00e-04

6.51e-05 to 8.10e-03

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

8.10e-03 mmHg

Not Available

Available

ACD/Labs

9.63e-04 mmHg

Not Available

Not Available

TEST

8.38e-04 mmHg

TEST Report

Not Available

OPERA

6.51e-05 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

5.68 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

5.68 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

7.50 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.50

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

9.30e-08 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.30e-08 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.62 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.62

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

41.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

41.9 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

120 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

120 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

16.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

16.6 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

78.6 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

2.48e-12 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

3.56 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.40e-01 (1)

- - - -

days

Bioconcentration Factor

-

5.93 (3)

-

5.48

-

5.03 to 7.29

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

78.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

78.6 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

2.48e-12 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.48e-12 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

3.56 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.56 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.40e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.40e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

5.93 (3)

5.48

5.03 to 7.29

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

5.03

Not Available

Available

TEST

5.48

TEST Report

Not Available

OPERA

7.29

OPERA Model Report

Available

Found 55 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
4-Methyl-2-nitroaniline
Benzenamine, 4-methyl-2-nitro-
89-62-3 Active CAS-RN
C.I. Azoic Diazo Component 8
Amarthol Fast Red GL Base
Amarthol Fast Red GL Salt
1-Amino-2-nitro-4-methylbenzene
Azoamine Red A
Azobase NAT
Azoene Fast Red Red GL Salt
Azofix Red GL Salt
Azoic Diazo Component 8
Devol Red G
Devol Red Salt G
Diazo Fast Red GL
EINECS 201-924-9
Fast Red G Base
Fast Red 3NT Base
Fast Red 3NT Salt
Fast Red Base GL
Fast Red Base JL
Fast Red GL
Fast Red GL Base
Fast Red MGL Base
HD Fast Red GL Base
Hiltonil Fast Red GL Base
Hiltosal Fast Red GL Salt
Lake Red G Base
Lithosol Scarlet Base M
Lithosol Scarlet Base MB
Lithosol Scarlet Base MBW
Lithosol Scarlet Base MW
Mitsui Red GL Base
Naphthanil Red G Base
Naphtoelan Fast Red GL Base
NSC 2759
Red G Base
Red G Salt
Red Base Ciba VII
Red Base Irga VII
Red Base NGL
Red Salt Ciba VII
Red Salt Irga VII
Sanyo Fast Red GL Base
Shinnippon Fast Red GL Base
Toyo Fast Red GL Base
Tulabase Fast Red GL
2-Nitro-4-methylaniline
3-Nitro-4-aminotoluene
3-Nitro-4-toluidine
4-Amino-3-nitrotoluene
4-Methyl-2-nitrobenzenamine
4-Methyl-6-nitroaniline
m-nitro-p-aminotoluene
2-nitro-p-toluidine
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

4812th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

2.84e-07

2.03e-05

Ages 12-19

1.80e-07

9.29e-06

Ages 20-65

1.37e-07

9.32e-06

Ages 65+

1.58e-07

1.13e-05

BMI > 30

1.43e-07

1.07e-05

BMI < 30

1.74e-07

9.47e-06

Repro. Age Females

1.34e-07

7.69e-06

Females

1.33e-07

7.87e-06

Males

1.49e-07

1.04e-05

Total

1.37e-07

1.02e-05

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