Success!

Failed to copy.

Anilazine
101-05-3 | DTXSID9020089

Searched by DSSTox_Substance_Id: Found 1 result for 'DTXSID9020089'.

Image not found
Wikipedia
Imgnotfound
Intrinsic Properties

Molecular Formula: C9H5Cl3N4

Average Mass: 275.52 g/mol

Monoisotopic Mass: 273.957979 g/mol

Structural Identifiers

IUPAC Name: 4,6-Dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine

SMILES: ClC1=CC=CC=C1NC1=NC(Cl)=NC(Cl)=N1

InChI String: InChI=1S/C9H5Cl3N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)

InChIKey: IMHBYKMAHXWHRP-UHFFFAOYSA-N

Search Google for:

Structural Skeleton Full Structure

Imgnotfound

Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID9020089 (accessed July 22, 2018), Anilazine

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

3.88 (1)

3.37 (5)

-

3.55

3.88

2.93 to 3.66

-

Water Solubility

2.90e-05 (1)

1.93e-04 (4)

-

1.92e-04

2.90e-05

3.00e-05 to 3.56e-04

mol/L

Density

-

1.56 (2)

-

1.56

-

1.50 to 1.61

g/cm^3

Flash Point

-

218 (2)

-

218

-

203 to 232

°C

Melting Point

160 (4)

163 (4)

160

166

160

149 to 172

°C

Boiling Point

-

364 (5)

-

353

-

320 to 460

°C

Surface Tension

-

67.8 (1)

- - - -

dyn/cm

Thermal Conductivity

-

134 (1)

- - - -

mW/(m*K)

Vapor Pressure

6.20e-09 (1)

6.66e-08 (4)

-

2.05e-08

6.20e-09

1.17e-08 to 2.14e-07

mmHg

LogKoa: Octanol-Air

-

11.0 (1)

- - - - -

Henry's Law

-

3.87e-07 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.68 (1)

- - - - -

Molar Refractivity

-

64.6 (1)

- - - -

cm^3

Molar Volume

-

171 (1)

- - - -

cm^3

Polarizability

-

25.6 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental

3.88 (1)

-

3.88

Predicted

3.37 (5)

3.55

2.93 to 3.66

Experimental

Source

Result

PhysPropNCCT

3.88

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3.64

Not Available

Not Available

NICEATM

2.93

Not Available

Available

ACD/Labs Consensus

3.55

Not Available

Not Available

ACD/Labs

3.07

Not Available

Not Available

OPERA

3.66

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental

2.90e-05 (1)

-

2.90e-05

Predicted

1.93e-04 (4)

1.92e-04

3.00e-05 to 3.56e-04

Experimental

Source

Result

PhysPropNCCT

2.90e-05 mol/L

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3.00e-05 mol/L

Not Available

Not Available

NICEATM

3.41e-04 mol/L

Not Available

Available

TEST

3.56e-04 mol/L

TEST Report

Not Available

OPERA

4.40e-05 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.56 (2)

1.56

1.50 to 1.61

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.61 g/cm^3

Not Available

Not Available

TEST

1.50 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

218 (2)

218

203 to 232

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

232 °C

Not Available

Not Available

TEST

203 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

160 (4)

160

160

Predicted

163 (4)

166

149 to 172

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

364 (5)

353

320 to 460

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

365 °C

Not Available

Not Available

NICEATM

324 °C

Not Available

Available

ACD/Labs

460 °C

Not Available

Not Available

TEST

353 °C

TEST Report

Not Available

OPERA

320 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

67.8 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

67.8 dyn/cm

Not Available

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

134 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

134 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental

6.20e-09 (1)

-

6.20e-09

Predicted

6.66e-08 (4)

2.05e-08

1.17e-08 to 2.14e-07

Experimental

Source

Result

PhysPropNCCT

6.20e-09 mmHg

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

2.50e-08 mmHg

Not Available

Available

ACD/Labs

1.17e-08 mmHg

Not Available

Not Available

TEST

2.14e-07 mmHg

TEST Report

Not Available

OPERA

1.60e-08 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

11.0 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

11.0

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

3.87e-07 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.87e-07 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.68 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.68

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

64.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

64.6 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

171 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

171 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

25.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

25.6 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

1000 (1)

942 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

6.06e-12 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

3.85 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

7.82e-01 (1)

- - - -

days

Bioconcentration Factor

-

1950 (3)

-

92.1

-

61.7 to 5690

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental

1000 (1)

-

-
Predicted

942 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

1000 L/kg

Predicted

Source

Result

Calculation Details

QMRF

OPERA

942 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

6.06e-12 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

6.06e-12 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

3.85 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.85 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

7.82e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.82e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

1950 (3)

92.1

61.7 to 5690

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

5690

Not Available

Available

TEST

61.7

TEST Report

Not Available

OPERA

92.1

OPERA Model Report

Available

Found 40 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Anilazine
4,6-Dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine
1,3,5-Triazin-2-amine, 4,6-dichloro-N-(2-chlorophenyl)-
101-05-3 Active CAS-RN
1,3,5-Triazine-2-amine, 4,6-dichloro-N-(2-chlorophenyl)-
Dyrene
5-26-08-00019 Beilstein Registry Number
1,3,5-Triazin-2-amine, 4,6-dichloro-N-(2-chlorophenyl)-
2-(2'-Chloroanilino)-4,6-dichloro-s-triazine
2-(2-Chloroanilino)-4,6-dichloro-s-triazine
2-(o-Chloroanilino)-4,6-dichloro-1,3,5-triazine
2,4-Dichloro-6-(2-chloranilino)-s-triazine
2,4-Dichloro-6-(2-chloroanilino)-1,3,5-triazine
2,4-Dichloro-6-(o-chloroanilino)-1,3,5-triazine
2,4-Dichloro-6-(o-chloroanilino)-s-triazine
2,4-Dichloro-6-(o-chlorophenyl)amino-s-triazine
2,4-Dichloro-6-o-chloranilino-s-triazine
Anilazin
anilazina
Aniyaline
Bortrysan
Dyrene Flussig
NSC 3851
Pesticide, triazine
s-Triazine, 2,4-dichloro-6-(o-chloroanilino)-
Triazin
Zinochlor
BRN 0223133
Caswell No. 302
(o-Chloroanilino)dichlorotriazine
2-Chloro-N-(4,6-dichloro-1,3,5-triazin-2-yl)aniline
4,6-Dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine
EINECS 202-910-5
EPA Pesticide Chemical Code 080811
NCI-C08684
Triasym
Triasyn
UNII-C6E8Y03ZJN FDA Registry Number
2-(2-Chloranilin)-4,6-dichlor-1,3,5-triazin
2-chloro-N-(4,6-dichloro-1,3,5-triazin-2-yl)aniline
Imgnotfound
Imgnotfound
Imgnotfound
Imgnotfound
Print Page

Toxics Release Inventory


National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

6015th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

8.91e-08

6.89e-06

Ages 12-19

1.16e-07

7.04e-06

Ages 20-65

7.51e-08

4.91e-06

Ages 65+

9.36e-08

4.92e-06

BMI > 30

8.23e-08

4.78e-06

BMI < 30

1.11e-07

6.29e-06

Repro. Age Females

8.13e-08

6.49e-06

Females

8.41e-08

4.22e-06

Males

7.59e-08

4.56e-06

Total

9.34e-08

5.31e-06

Imgnotfound

PubChem Articles

Select Term:

AND

AND

Edit the Query Before Querying ()

You have hit the max of 255 characters for this query.

PubChem Patents

Loading Image

Searched with a similarity threshold of 0.8

Imgnotfound