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C.I. Basic Orange 2
532-82-1 | DTXSID0024559

Searched by Approved Name: Found 1 result for 'C.I. Basic Oange 2'.

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Intrinsic Properties

Molecular Formula: C12H13ClN4

Average Mass: 248.71 g/mol

Monoisotopic Mass: 248.082874 g/mol

Structural Identifiers

IUPAC Name: 4-(Phenyldiazenyl)benzene-1,3-diamine--hydrogen chloride (1/1)

SMILES: Cl.NC1=CC=C(N=NC2=CC=CC=C2)C(N)=C1

InChI String: InChI=1S/C12H12N4.ClH/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10;/h1-8H,13-14H2;1H

InChIKey: MCTQNEBFZMBRSQ-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/DTXSID0024559 (accessed July 16, 2018), C.I. Basic Orange 2

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

-

2.35 (4)

-

2.30

-

1.52 to 3.31

-

Water Solubility

8.04e-05 (1)

1.27e-04 (3)

-

1.33e-04

8.04e-05

2.82e-05 to 2.20e-04

mol/L

Density

-

1.23 (2)

-

1.23

-

1.22 to 1.24

g/cm^3

Flash Point

-

221 (2)

-

221

-

215 to 228

°C

Melting Point

119 (1)

144 (3)

-

140

119

127 to 165

°C

Boiling Point

-

374 (4)

-

362

-

339 to 432

°C

Surface Tension

-

52.3 (1)

- - - -

dyn/cm

Vapor Pressure

-

3.87e-08 (4)

-

1.65e-08

-

2.89e-09 to 1.19e-07

mmHg

LogKoa: Octanol-Air

-

8.15 (1)

- - - - -

Henry's Law

-

2.40e-08 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.65 (1)

- - - - -

Molar Refractivity

-

62.7 (1)

- - - -

cm^3

Molar Volume

-

172 (1)

- - - -

cm^3

Polarizability

-

24.9 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

2.35 (4)

2.30

1.52 to 3.31

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.52

Not Available

Available

ACD/Labs Consensus

2.51

Not Available

Not Available

ACD/Labs

2.09

Not Available

Not Available

OPERA

3.31

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental

8.04e-05 (1)

-

8.04e-05

Predicted

1.27e-04 (3)

1.33e-04

2.82e-05 to 2.20e-04

Experimental

Source

Result

PhysPropNCCT

8.04e-05 mol/L

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

2.20e-04 mol/L

Not Available

Available

TEST

2.82e-05 mol/L

TEST Report

Not Available

OPERA

1.33e-04 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.23 (2)

1.23

1.22 to 1.24

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.24 g/cm^3

Not Available

Not Available

TEST

1.22 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

221 (2)

221

215 to 228

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

215 °C

Not Available

Not Available

TEST

228 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

119 (1)

-

119

Predicted

144 (3)

140

127 to 165

Experimental

Source

Result

PhysPropNCCT

119 °C

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

127 °C

Not Available

Available

TEST

165 °C

TEST Report

Not Available

OPERA

140 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

374 (4)

362

339 to 432

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

359 °C

Not Available

Available

ACD/Labs

432 °C

Not Available

Not Available

TEST

365 °C

TEST Report

Not Available

OPERA

339 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

52.3 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

52.3 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

3.87e-08 (4)

1.65e-08

2.89e-09 to 1.19e-07

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

2.89e-09 mmHg

Not Available

Available

ACD/Labs

1.19e-07 mmHg

Not Available

Not Available

TEST

5.83e-09 mmHg

TEST Report

Not Available

OPERA

2.71e-08 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

8.15 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.15

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

2.40e-08 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.40e-08 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.65 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.65

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

62.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

62.7 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

172 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

172 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

24.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

24.9 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

200 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

2.13e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

11.9 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

2.08e-01 (1)

- - - -

days

Bioconcentration Factor

-

85.7 (3)

-

39.5

-

22.1 to 195

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

200 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

200 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

2.13e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.13e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

11.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

11.9 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

2.08e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.08e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

85.7 (3)

39.5

22.1 to 195

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

195

Not Available

Available

TEST

22.1

TEST Report

Not Available

OPERA

39.5

OPERA Model Report

Available

Found 63 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
C.I. Basic Orange 2
4-(Phenyldiazenyl)benzene-1,3-diamine--hydrogen chloride (1/1)
1,3-Benzenediamine, 4-(2-phenyldiazenyl)-, hydrochloride (1:1)
532-82-1 Active CAS-RN
Chrysoidine G
C.I. Basic Orange 2
C.I. Basic Orange 3
C.I. Basic Orange 2, monohydrochloride
Astra Chrysoidine R
Basic Orange 2
Brasilazina Orange Y
Brilliant Oil Orange Y Base
Calcozine Chrysoidine Y
Calcozine Orange YS
Chrysoidin
Chrysoidin Y
Chrysoidin FB
Chrysoidin YN
Chrysoidine A
Chrysoidine B
Chrysoidine J
Chrysoidine M
Chrysoidine Y
Chrysoidine C crystals
Chrysoidine Y Crystals
Chrysoidine Y EX
Chrysoidine Y Special
Chrysoidine Crystals
Chrysoidine GN
Chrysoidine GS
Chrysoidine HR
Chrysoidine
Chrysoidine Orange
Chrysoidine PRL
Chrysoidine PRR
Chrysoidine SL
Chrysoidine SS
Chrysoidine YGH
Chrysoidine YL
Chrysoidine YN
Chrysoidine(II)
2,4-Diaminoazobenzene hydrochloride
Diazocard chrysoidine G
EINECS 208-545-8
Elcozine chrysoidine Y
Leather Orange HR
Nippon Kagaku Chrysoidine
NSC 152834
4-(Phenylazo)-1,3-benzenediamine, monohydrochloride
4-Phenylazo-m-phenylenediamine hydrochloride
4-(Phenylazo)-m-phenylenediamine, monohydrochloride
4-(Phenylazo)-1,3-phenylenediamine, monohydrochloride
m-Phenylenediamine, 4-(phenylazo)-, monohydrochloride
Pure Chrysoidine YBH
Pure chrysoidine YD
Pyracryl Orange Y
Sugai Chrysoidine
Tertrophene Brown CG
Verona Chrysoidine GN
Atlantic Chrysoidine Y
Basonyl Orange 200
Chryzoidyna F.B.
UNII-2431787HMZ FDA Registry Number
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

4072nd highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

2.22e-07

1.64e-05

Ages 12-19

1.93e-07

1.10e-05

Ages 20-65

1.82e-07

1.44e-05

Ages 65+

1.68e-07

1.32e-05

BMI > 30

1.45e-07

1.22e-05

BMI < 30

1.80e-07

1.55e-05

Repro. Age Females

1.73e-07

1.23e-05

Females

1.63e-07

1.45e-05

Males

1.61e-07

8.95e-06

Total

1.70e-07

1.57e-05

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Executive Summary

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