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2-Furoic acid hydrazide
3326-71-4 | DTXSID10186900

Searched by CAS-RN: Found 1 result for '3326-71-4'.

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Intrinsic Properties

Molecular Formula: C5H6N2O2

Average Mass: 126.115 g/mol

Monoisotopic Mass: 126.042927 g/mol

Structural Identifiers

IUPAC Name: Furan-2-carbohydrazide

SMILES: NNC(=O)C1=CC=CO1

InChI String: InChI=1S/C5H6N2O2/c6-7-5(8)4-2-1-3-9-4/h1-3H,6H2,(H,7,8)

InChIKey: SKTSVWWOAIAIKI-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/DTXSID10186900 (accessed June 23, 2018), 2-Furoic acid hydrazide

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

Loaded based on no conflicts with this data in chemid and pubchem

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

-

-0.444 (5)

-

-0.592

-

-0.961 to 5.23e-01

-

Water Solubility

-

5.65e-01 (4)

-

5.78e-01

-

9.94e-02 to 1.00

mol/L

Density

-

1.19 (1)

- - - -

g/cm^3

Flash Point

-

119 (1)

- - - -

°C

Melting Point

79.3 (5)

151 (4)

79.0

151

79.0 to 80.0

102 to 200

°C

Boiling Point

-

285 (3)

-

292

-

263 to 300

°C

Vapor Pressure

-

1.61e-06 (2)

-

1.61e-06

-

2.37e-08 to 3.19e-06

mmHg

LogKoa: Octanol-Air

-

7.20 (1)

- - - - -

Henry's Law

-

5.84e-09 (1)

- - - -

atm-m3/mole

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

-0.444 (5)

-0.592

-0.961 to 5.23e-01

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-0.500

Not Available

Not Available

NICEATM

-0.690

Not Available

Available

ACD/Labs Consensus

-0.592

Not Available

Not Available

ACD/Labs

-0.961

Not Available

Not Available

OPERA

5.23e-01

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

5.65e-01 (4)

5.78e-01

9.94e-02 to 1.00

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

9.94e-02 mol/L

Not Available

Not Available

NICEATM

1.00 mol/L

Not Available

Available

OPERA

5.87e-01 mol/L

OPERA Model Report

Available

TEST

5.69e-01 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.19 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

1.19 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

119 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

119 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

79.3 (5)

79.0

79.0 to 80.0

Predicted

151 (4)

151

102 to 200

Experimental

Source

Result

Jean-Claude Bradley Open Melting Point Dataset

80.0 °C

Jean-Claude Bradley Open Melting Point Dataset

79.0 °C

Alfa Aesar

79.0 °C

Alfa Aesar

79.0 °C

MolMall

79.5 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

102 °C

Not Available

Not Available

NICEATM

200 °C

Not Available

Available

OPERA

184 °C

OPERA Model Report

Available

TEST

119 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

285 (3)

292

263 to 300

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

300 °C

Not Available

Not Available

NICEATM

263 °C

Not Available

Available

OPERA

292 °C

OPERA Model Report

Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

1.61e-06 (2)

1.61e-06

2.37e-08 to 3.19e-06

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

2.37e-08 mmHg

Not Available

Available

OPERA

3.19e-06 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

7.20 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.20

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

5.84e-09 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.84e-09 atm-m3/mole

OPERA Model Report

Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

38.0 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

8.33e-12 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

3.53 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.01e-01 (1)

- - - -

days

Bioconcentration Factor

-

343 (2)

-

343

-

3.31 to 683

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

38.0 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

38.0 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

8.33e-12 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.33e-12 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

3.53 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.53 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.01e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.01e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

343 (2)

343

3.31 to 683

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

683

Not Available

Available

OPERA

3.31

OPERA Model Report

Available

Found 19 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
2-Furoic acid hydrazide
Furan-2-carbohydrazide
2-Furancarboxylic acid, hydrazide
3326-71-4 Active CAS-RN
5-18-06-00125 Beilstein Registry Number
BRN 0114435
EINECS 222-046-2
2-Furancarbohydrazide
2-Furancarbohydrazonic acid
2-Furancarbonyl hydrazide
Furoic acid, hydrazide
2-Furoic hydrazide
Furoylhydrazide
2-Furoylhydrazide
2-Furylcarbonylhydrazide
2-Furylcarboxylic acid hydrazide
NSC 11957
NSC 35574
Pyromucic acid hydrazide
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Exposure Predictions

There is no exposure data available.

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Executive Summary

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