isobutyronitrile (Q1960244)

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chemical compound

• Isopropyl cyanide
• 2-Methylpropanenitrile
• 2-Methylpropionitrile

edit

Language	Label	Description	Also known as
English	isobutyronitrile	chemical compound	Isopropyl cyanide 2-Methylpropanenitrile 2-Methylpropionitrile

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

part of

2-methylpropionitrile hydroxylase activity

1 reference

reference URL

http://geneontology.org/external2go/rhea2go

retrieved

1 February 2021

chemical structure

Isobutyronitrile.svg
425 × 430; 4 KB

0 references

mass

69.058±0 dalton

1 reference

stated in

PubChem

PubChem CID

6559

language of work or name

English

title

Isobutyronitrile (English)

retrieved

14 October 2016

associated hazard

isobutyronitrile exposure

0 references

has effect

isobutyronitrile exposure

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0353.html

chemical formula

C₄H₇N

1 reference

stated in

PubChem

PubChem CID

6559

language of work or name

English

title

Isobutyronitrile (English)

retrieved

14 October 2016

canonical SMILES

CC(C)C#N

1 reference

stated in

PubChem

PubChem CID

6559

language of work or name

English

title

Isobutyronitrile (English)

retrieved

14 October 2016

ionization energy

11.30 electronvolt

series ordinal

1

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

electric dipole moment

4.29 debye

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

density

0.76±0.01 gram per cubic centimetre

temperature

20±1 degree Celsius

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0353.html

melting point

−97±1 degree Fahrenheit

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0353.html

−72.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

−71.5 degree Celsius

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

boiling point

219±1 degree Fahrenheit

under pressure

760±1 torr

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0353.html

103.9 degree Celsius

under pressure

101.325 kilopascal

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

vapor pressure

100±1 millimetre of mercury

temperature

130±1 degree Fahrenheit

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0353.html

flash point

47±1 degree Fahrenheit

determination method or standard

Pensky–Martens closed-cup test

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0353.html

NIOSH Pocket Guide ID

0353

0 references

time-weighted average exposure limit

22±1 milligram per cubic metre

applies to jurisdiction

no value

duration

10±1 hour

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0353.html

has characteristic

Class IB flammable liquid

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0353.html

Commons category

Isobutyronitrile

0 references

Identifiers

InChI

InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3

1 reference

stated in

PubChem

PubChem CID

6559

language of work or name

English

title

Isobutyronitrile (English)

retrieved

14 October 2016

InChIKey

LRDFRRGEGBBSRN-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

6559

language of work or name

English

title

Isobutyronitrile (English)

retrieved

14 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

78-82-0

2 references

stated in

Global Substance Registration System

UNII

699AWF2WV2

language of work or name

English

title

isobutyronitrile (English)

retrieved

14 October 2016

InChIKey

LRDFRRGEGBBSRN-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=78-82-0

ChemSpider ID

6311

1 reference

stated in

ChemSpider

ChemSpider ID

6311

language of work or name

English

title

Isopropyl cyanide (English)

retrieved

14 October 2016

PubChem CID

6559

2 references

stated in

PubChem

PubChem CID

6559

language of work or name

English

title

Isobutyronitrile (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

LRDFRRGEGBBSRN-UHFFFAOYSA-N

ChEBI ID

28638

mapping relation type

exact match

2 references

stated in

ChEBI release 2019-10-02

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3

ChEMBL ID

CHEMBL1492874

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL1492874

language of work or name

English

title

CHEMBL1492874 (English)

retrieved

14 October 2016

UniChem compound ID

748315

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP002572

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP004002

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP008060

0 references

SPLASH

splash10-00mo-9000000000-ceda4d50d028af39e1bf

0 references

splash10-00kf-9000000000-049f41f5e8691843afca

0 references

NMRShiftDB structure ID

10017068

1 reference

matched by identifier from

InChIKey

InChIKey

LRDFRRGEGBBSRN-UHFFFAOYSA-N

CAMEO Chemicals ID

3677

0 references

RTECS number

TZ4900000

0 references

ZVG number

510611

0 references

HSDB ID

5221

1 reference

stated in

Hazardous Substances Data Bank

HSDB ID

5221

publication date

28 October 2019

title

2-Methylpropanenitrile (English)

retrieved

10 May 2021

DSSTox substance ID

DTXSID5026461

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

LRDFRRGEGBBSRN-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID606461

0 references

NSC number

60536

0 references

EC number

201-147-5

1 reference

stated in

Global Substance Registration System

UNII

699AWF2WV2

language of work or name

English

title

isobutyronitrile (English)

retrieved

14 October 2016

ECHA Substance Infocard ID

100.001.043

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.001.043

retrieved

27 December 2018

title

Isobutyronitrile (English)

quotation

CAS no.: 78-82-0 (English)

UNII

699AWF2WV2

2 references

stated in

Global Substance Registration System

UNII

699AWF2WV2

language of work or name

English

title

isobutyronitrile (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

LRDFRRGEGBBSRN-UHFFFAOYSA-N

Google Knowledge Graph ID

/g/12257tbx

0 references

/g/1hc0hj_yl

0 references

Microsoft Academic ID

2776872623

0 references

 

Sitelinks

Wikipedia(9 entries)

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• dewiki Isobutyronitril
• elwiki Μεθυλοπροπανονιτρίλιο
• enwiki Isobutyronitrile
• eowiki Izobuteronitrilo
• eswiki Isobutironitrilo
• fiwiki Isobutyronitriili
• frwiki Isobutyronitrile
• nlwiki Isobutyronitril
• zhwiki 異丁腈

Wikibooks(0 entries)

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Wikinews(0 entries)

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Wikiquote(0 entries)

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Wikisource(0 entries)

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Wikiversity(0 entries)

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Wikivoyage(0 entries)

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Wiktionary(0 entries)

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Multilingual sites(1 entry)

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• commonswiki Category:Isobutyronitrile

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