butyronitrile (Q420835)

German Wikipedia

mass

69.058 dalton

1 reference

Butyronitrile (English)

6 October 2016

associated hazard

butyronitrile exposure

0 references

has effect

butyronitrile exposure

1 reference

http://www.cdc.gov/niosh/npg/npgd0086.html

chemical formula

C₄H₇N

1 reference

Butyronitrile (English)

6 October 2016

canonical SMILES

CCCC#N

1 reference

Butyronitrile (English)

6 October 2016

ionization energy

11.67±0.01 electronvolt

series ordinal

1

1 reference

http://www.cdc.gov/niosh/npg/npgd0086.html

11.20 electronvolt

1 reference

Basic laboratory and industrial chemicals: A CRC quick reference handbook

electric dipole moment

4.07 debye

1 reference

Basic laboratory and industrial chemicals: A CRC quick reference handbook

density

0.81±0.01 gram per cubic centimetre

temperature

20±1 degree Celsius

1 reference

http://www.cdc.gov/niosh/npg/npgd0086.html

melting point

−170±1 degree Fahrenheit

1 reference

http://www.cdc.gov/niosh/npg/npgd0086.html

−112.0 degree Celsius

1 reference

Jean-Claude Bradley Open Melting Point Dataset

−111.9 degree Celsius

1 reference

Basic laboratory and industrial chemicals: A CRC quick reference handbook

boiling point

244±1 degree Fahrenheit

under pressure

760±1 torr

1 reference

http://www.cdc.gov/niosh/npg/npgd0086.html

117.6 degree Celsius

under pressure

101.325 kilopascal

1 reference

Basic laboratory and industrial chemicals: A CRC quick reference handbook

vapor pressure

14±1 millimetre of mercury

temperature

68±1 degree Fahrenheit

1 reference

http://www.cdc.gov/niosh/npg/npgd0086.html

solubility

3±1 gram per 100 gram of solvent

temperature

77±1 degree Fahrenheit

solvent

water

1 reference

http://www.cdc.gov/niosh/npg/npgd0086.html

flash point

62±1 degree Fahrenheit

determination method or standard

Pensky–Martens closed-cup test

1 reference

http://www.cdc.gov/niosh/npg/npgd0086.html

lower flammable limit

1.65±0.01 volume percent

1 reference

http://www.cdc.gov/niosh/npg/npgd0086.html

safety classification and labelling

NFPA 704: Standard System for the Identification of the Hazards of Materials for Emergency Response

3

3

0

no value

1 reference

time-weighted average exposure limit

English Wikipedia

NIOSH Pocket Guide ID

0086

0 references

22±1 milligram per cubic metre

applies to jurisdiction

no value

duration

10±1 hour

1 reference

http://www.cdc.gov/niosh/npg/npgd0086.html

has characteristic

Class IB flammable liquid

1 reference

http://www.cdc.gov/niosh/npg/npgd0086.html

Commons category

Butyronitrile

0 references

Identifiers

InChI

InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3

1 reference

Butyronitrile (English)

6 October 2016

2 references

Butyronitrile (English)

6 October 2016

ChEBI release 2020-09-01

2 references

butyronitrile (English)

6 October 2016

https://commonchemistry.cas.org/detail?cas_rn=109-74-0

9 April 2021

1 reference

Butyronitrile (English)

6 October 2016

2 references

Butyronitrile (English)

6 October 2016

Reaxys registry number

1361452

1 reference

butyronitrile (English)

6 October 2016

ChEBI ID

51937

mapping relation type

2 references

butyronitrile (English)

6 October 2016

International Chemical Identifier

InChI

InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3

1 reference

1 reference

Cambridge Structural Database

10 January 2023

1 reference

Cambridge Structural Database

MSBNK-Fac_Eng_Univ_Tokyo-JP002571

10 January 2023

based on heuristic

InChIKey match

MassBank accession ID

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP004001

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP008061

0 references

SPLASH

splash10-002f-9000000000-269dcf144f66bdba281e

0 references

splash10-002f-9000000000-75ac7dbf4e416e7bf457

0 references

NMRShiftDB structure ID

10017067

1 reference

0 references

0 references

1 reference

English Wikipedia

RTECS number

ET8750000

1 reference

English Wikipedia

ZVG number

38640

1 reference

Hazardous Substances Data Bank

1 reference

28 October 2019

BUTANENITRILE (English)

10 May 2021

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

0 references

1 reference

Global Substance Registration System

UNII

O3V36V0W0M

BUTYRONITRILE (English)

ECHA Substance Infocard ID

6 October 2016

100.003.365

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.003.365

27 December 2018

Human Metabolome Database ID

Butyronitrile (English)

quotation

CAS no.: 109-74-0 (English)

HMDB0249482

2 references

based on heuristic

inferred from InChIKey

UNII

O3V36V0W0M

2 references

Global Substance Registration System

UNII

O3V36V0W0M

BUTYRONITRILE (English)

6 October 2016