Success!

Failed to copy.

Oxadiazon
19666-30-9 | DTXSID3024239

Searched by Approved Name: Found 1 result for 'Oxadiazon'.

Image not found
Intrinsic Properties

Molecular Formula: C15H18Cl2N2O3

Average Mass: 345.22 g/mol

Monoisotopic Mass: 344.069448 g/mol

Structural Identifiers

IUPAC Name: 5-tert-Butyl-3-{2,4-dichloro-5-[(propan-2-yl)oxy]phenyl}-1,3,4-oxadiazol-2(3H)-one

SMILES: CC(C)OC1=CC(N2N=C(OC2=O)C(C)(C)C)=C(Cl)C=C1Cl

InChI String: InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3

InChIKey: CHNUNORXWHYHNE-UHFFFAOYSA-N

Search Google for:

Structural Skeleton Full Structure

Imgnotfound

Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID3024239 (accessed May 21, 2018), Oxadiazon

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

4.80 (1)

4.59 (5)

-

4.55

4.80

4.51 to 4.81

-

Water Solubility

2.03e-06 (1)

6.71e-06 (4)

-

8.32e-06

2.03e-06

1.53e-06 to 8.67e-06

mol/L

Density

-

1.31 (2)

-

1.31

-

1.31 to 1.32

g/cm^3

Flash Point

-

218 (2)

-

218

-

206 to 230

°C

Melting Point

90.0 (2)

124 (4)

90.0

117

90.0

83.9 to 179

°C

Boiling Point

-

373 (5)

-

357

-

317 to 431

°C

Surface Tension

-

39.2 (1)

- - - -

dyn/cm

Vapor Pressure

1.12e-07 (1)

1.71e-07 (4)

-

1.15e-07

1.12e-07

8.81e-08 to 3.65e-07

mmHg

LogKoa: Octanol-Air

-

9.30 (1)

- - - - -

Henry's Law

-

7.72e-08 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.57 (1)

- - - - -

Molar Refractivity

-

86.0 (1)

- - - -

cm^3

Molar Volume

-

262 (1)

- - - -

cm^3

Polarizability

-

34.1 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental

4.80 (1)

-

4.80

Predicted

4.59 (5)

4.55

4.51 to 4.81

Experimental

Source

Result

PhysPropNCCT

4.80

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

4.81

Not Available

Not Available

NICEATM

4.51

Not Available

Available

ACD/Labs Consensus

4.51

Not Available

Not Available

ACD/Labs

4.55

Not Available

Not Available

OPERA

4.59

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental

2.03e-06 (1)

-

2.03e-06

Predicted

6.71e-06 (4)

8.32e-06

1.53e-06 to 8.67e-06

Experimental

Source

Result

PhysPropNCCT

2.03e-06 mol/L

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.53e-06 mol/L

Not Available

Not Available

NICEATM

8.61e-06 mol/L

Not Available

Available

OPERA

8.03e-06 mol/L

OPERA Model Report

Available

TEST

8.67e-06 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.31 (2)

1.31

1.31 to 1.32

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.32 g/cm^3

Not Available

Not Available

TEST

1.31 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

218 (2)

218

206 to 230

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

206 °C

Not Available

Not Available

TEST

230 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

90.0 (2)

90.0

90.0

Predicted

124 (4)

117

83.9 to 179

Experimental

Source

Result

Jean-Claude Bradley Open Melting Point Dataset

90.0 °C

PhysPropNCCT

90.0 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

179 °C

Not Available

Not Available

NICEATM

108 °C

Not Available

Available

OPERA

83.9 °C

OPERA Model Report

Available

TEST

125 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

373 (5)

357

317 to 431

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

431 °C

Not Available

Not Available

NICEATM

317 °C

Not Available

Available

ACD/Labs

417 °C

Not Available

Not Available

OPERA

344 °C

OPERA Model Report

Available

TEST

357 °C

TEST Report

Not Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

39.2 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

39.2 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental

1.12e-07 (1)

-

1.12e-07

Predicted

1.71e-07 (4)

1.15e-07

8.81e-08 to 3.65e-07

Experimental

Source

Result

PhysPropNCCT

1.12e-07 mmHg

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

8.88e-08 mmHg

Not Available

Available

ACD/Labs

3.65e-07 mmHg

Not Available

Not Available

OPERA

1.41e-07 mmHg

OPERA Model Report

Available

TEST

8.81e-08 mmHg

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

9.30 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.30

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

7.72e-08 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.72e-08 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.57 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.57

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

86.0 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

86.0 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

262 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

262 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

34.1 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

34.1 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

3240 (1)

3070 (2)

-

3070

3240

2730 to 3400

L/kg

Atmos. Hydroxylation Rate

-

1.38e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

4.79 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

5.89 (1)

3.82 (1)

- - - -

days

Bioaccumulation Factor

-

1880 (1)

- - - - -

Bioconcentration Factor

1200 (1)

1030 (5)

-

1210

1200

94.2 to 1720

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental

3240 (1)

-

3240

Predicted

3070 (2)

3070

2730 to 3400

Experimental

Source

Result

PhysPropNCCT

3240 L/kg

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3400 L/kg

Not Available

Not Available

OPERA

2730 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.38e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.38e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

4.79 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.79 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental

5.89 (1)

-

-
Predicted

3.82 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

5.89 days

Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.82 days

OPERA Model Report

Available

Bioaccumulation Factor

Average

Median

Range

Experimental - - -
Predicted

1880 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1880

Not Available

Not Available

Bioconcentration Factor

Average

Median

Range

Experimental

1200 (1)

-

1200

Predicted

1030 (5)

1210

94.2 to 1720

Experimental

Source

Result

PhysPropNCCT

1200

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1720

Not Available

Not Available

EPISUITE

682

Not Available

Not Available

NICEATM

1470

Not Available

Available

OPERA

1210

OPERA Model Report

Available

TEST

94.2

TEST Report

Not Available

Found 30 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Oxadiazon
5-tert-Butyl-3-{2,4-dichloro-5-[(propan-2-yl)oxy]phenyl}-1,3,4-oxadiazol-2(3H)-one
1,3,4-Oxadiazol-2(3H)-one, 3-[2,4-dichloro-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-
19666-30-9 Active CAS-RN
1,3,4-Oxadiazol-2(3H)-one, 3-[2,4-dichloro-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-
2-t-Butyl-4-(2, 4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazolin-5-one
2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazolin-5-one
2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-5-oxo-1,3,4-oxadiazoline
2-tert-Butyl-4-(2,4-dichloro-5-isopropyloxyphenyl)-5-oxo-1,3,4-oxadiazoline
3-[2,4-Dichlor-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-on
3-[2,4-dichloro-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
3-[2,4-dichloro-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazole-2(3H)-one
5-(1,1-dimetiletil)-3-[2,4-dicloro-5-(1-metiletoxi)fenil]-5-1,3,4-oxadiazol-2(3H)-ona
Foresite
Kensogen Ti
Oxadiazone
Ronstar
Δ2-1,3,4-Oxadiazolin-5-one, 2-tert-butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-
BRN 0558070
2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-delta2-1,3,4-oxadiazolin-5-one
5-tert-Butyl-3-(2,4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazol-2(3H)-one
2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-delta(sup 2)-1,3,4-oxadiazolin-5-one
2-tert-Butyl-4-(2,4-dichloro-5-isopropyloxyphenyl)-1,3,4-oxadiazolin-5-one
Caswell No. 624A
3-(2,4-Dichloro-5-isopropyloxy-phenyl)-delta(sup 4)-5-(tert-butyl)-1,3,4-oxadiazoline-2-one
3-(2,4-Dichloro-5-(1-methylethoxy)phenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
EINECS 243-215-7
EPA Pesticide Chemical Code 109001
1,3,4-Oxazol-2(3H)-one, 3-(2,4-dichloro-5-(1-methylethoxy)phenyl)-5-(1,1-dimethylethyl)-
UNII-C6U0E0YTP6 FDA Registry Number
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:

4696th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

1.50e-07

1.11e-05

Ages 12-19

1.22e-07

8.55e-06

Ages 20-65

1.01e-07

7.76e-06

Ages 65+

8.79e-08

5.21e-06

BMI > 30

9.29e-08

7.41e-06

BMI < 30

1.36e-07

9.43e-06

Repro. Age Females

9.56e-08

6.15e-06

Females

1.17e-07

5.71e-06

Males

8.79e-08

5.02e-06

Total

1.41e-07

5.97e-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

Executive Summary

Imgnotfound