acrylonitrile (Q342968)

Gene Ontology release 2019-11-16

acrylonitrile catabolic process

subject has role

reactant

1 reference

Gene Ontology release 2019-11-16

chemical structure

Acrylnitril.svg
143 × 48; 5 KB

1 reference

image of molecular model or crystal lattice model

German Wikipedia

Acrylonitrile-3D-vdW.png
1,100 × 776; 120 KB

depicts

space-filling model

0 references

mass

53.027 dalton

1 reference

ACRYLONITRILE (English)

19 October 2016

associated hazard

acrylonitrile exposure

0 references

has effect

acrylonitrile exposure

1 reference

http://www.cdc.gov/niosh/npg/npgd0014.html

monomer of

polyacrylonitrile

0 references

acrylonitrile butadiene styrene

0 references

polybutadiene acrylonitrile

0 references

acrylonitrile styrene acrylate

0 references

Styrene-acrylonitrile resin

0 references

chemical formula

C₃H₃N

1 reference

ACRYLONITRILE (English)

19 October 2016

canonical SMILES

C=CC#N

1 reference

ACRYLONITRILE (English)

19 October 2016

ionization energy

10.91±0.01 electronvolt

series ordinal

1

2 references

http://www.cdc.gov/niosh/npg/npgd0014.html

Basic laboratory and industrial chemicals: A CRC quick reference handbook

electric dipole moment

3.87 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/npgd0014.html

melting point

−116±1 degree Fahrenheit

1 reference

http://www.cdc.gov/niosh/npg/npgd0014.html

−84 degree Celsius

1 reference

Jean-Claude Bradley Open Melting Point Dataset

−83.5 degree Celsius

1 reference

Basic laboratory and industrial chemicals: A CRC quick reference handbook

boiling point

171±1 degree Fahrenheit

under pressure

760±1 torr

1 reference

http://www.cdc.gov/niosh/npg/npgd0014.html

77.35 degree Celsius

under pressure

101.325 kilopascal

1 reference

Basic laboratory and industrial chemicals: A CRC quick reference handbook

vapor pressure

83±1 millimetre of mercury

temperature

68±1 degree Fahrenheit

1 reference

http://www.cdc.gov/niosh/npg/npgd0014.html

solubility

7±1 gram per 100 gram of solvent

temperature

68±1 degree Fahrenheit

solvent

water

1 reference

http://www.cdc.gov/niosh/npg/npgd0014.html

flash point

30±1 degree Fahrenheit

determination method or standard

Pensky–Martens closed-cup test

1 reference

http://www.cdc.gov/niosh/npg/npgd0014.html

autoignition temperature

481±1 degree Celsius

1 reference

http://www.cdc.gov/niosh/ipcsneng/neng0092.html

lower flammable limit

3±1 volume percent

1 reference

http://www.cdc.gov/niosh/npg/npgd0014.html

upper flammable limit

17±1 volume percent

1 reference

http://www.cdc.gov/niosh/npg/npgd0014.html

safety classification and labelling

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

NFPA Health

4

NFPA Fire

3

NFPA Instability

2

1 reference

short-term exposure limit

English Wikipedia

NIOSH Pocket Guide ID

0014

0 references

4±1 parts per million

Finland

1 reference

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

10±1 milligram per cubic metre

Poland

1 reference

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

1.5±0.1 milligram per cubic metre

Russia

1 reference

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

6±1 parts per million

Sweden

1 reference

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

time-weighted average exposure limit

4.34±0.01 milligram per cubic metre

United States of America

Hungary

8±1 hour

skin absorption

1 reference

http://www.cdc.gov/niosh/npg/npgd0014.html

2.17±0.01 milligram per cubic metre

no value

10±1 hour

1 reference

http://www.cdc.gov/niosh/npg/npgd0014.html

2±1 parts per million

skin absorption

1 reference

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

7±1 milligram per cubic metre

Australia

1 reference

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

20±1 parts per million

Philippines

Turkey

1 reference

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

2±1 milligram per cubic metre

Poland

1 reference

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

0.5±0.1 milligram per cubic metre

Russia

1 reference

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

ceiling exposure limit

21.7±0.1 milligram per cubic metre

United States of America

15±1 minute

skin absorption

1 reference

http://www.cdc.gov/niosh/npg/npgd0014.html

immediately dangerous to life or health

184.45±0.01 milligram per cubic metre

1 reference

http://www.cdc.gov/niosh/npg/npgd0014.html

minimal lethal dose

260±1 parts per million

4±1 hour

http://www.cdc.gov/niosh/idlh/107131.html

1 reference

575±1 parts per million

4±1 hour

http://www.cdc.gov/niosh/idlh/107131.html

1 reference

636±1 parts per million

4±1 hour

1 reference

http://www.cdc.gov/niosh/idlh/107131.html

452±1 parts per million

1±1 hour

1 reference

http://www.cdc.gov/niosh/idlh/107131.html

600±1 parts per million

4±1 hour

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

1 reference

110±1 parts per million

4±1 hour

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

1 reference

16±1 parts per million

20±1 minute

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

1 reference

1±1 gram per cubic metre

1±1 hour

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

1 reference

90±1 parts per million

4±1 hour

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

1 reference

200±1 milligram per kilogram

intravenous injection

dog

1 reference

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

112±1 milligram per kilogram

1 reference

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

2,015±1 milligram per kilogram

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

1 reference

200±1 milligram per kilogram

1 reference

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

median lethal dose (LD50)

500±1 parts per million

4±1 hour

1 reference

http://www.cdc.gov/niosh/idlh/107131.html

313±1 parts per million

4±1 hour

1 reference

http://www.cdc.gov/niosh/idlh/107131.html

425±1 parts per million

4±1 hour

http://www.cdc.gov/niosh/idlh/107131.html

1 reference

333±1 parts per million

4±1 hour

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

1 reference

946±1 parts per million

4±1 hour

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

1 reference

46±1 milligram per kilogram

intraperitoneal injection

laboratory mouse

1 reference

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

65±1 milligram per kilogram

intraperitoneal injection

1 reference

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

69±1 milligram per kilogram

intravenous injection

rabbit

1 reference

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

50±1 milligram per kilogram

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

1 reference

27±1 milligram per kilogram

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

1 reference

78±1 milligram per kilogram

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

1 reference

130±1 milligram per kilogram

guinea pig

1 reference

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

25±1 milligram per kilogram

laboratory mouse

1 reference

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

36±1 milligram per kilogram

laboratory mouse

1 reference

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

75±1 milligram per kilogram

1 reference

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

202±1 milligram per kilogram

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

1 reference

148±1 milligram per kilogram

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

1 reference

63±1 milligram per kilogram

http://www.cdc.gov/niosh-rtecs/AT501BD0.html

1 reference

has characteristic

Class IB flammable liquid

1 reference

http://www.cdc.gov/niosh/npg/npgd0014.html

subject has role

carcinogen

2 references

California Proposition 65 list of chemicals

Medical Subject Headings

15 March 2018

19 February 2020

https://oehha.ca.gov/chemicals/acrylonitrile

occupational carcinogen

1 reference

http://www.cdc.gov/niosh/npg/npgd0014.html

0 references

0 references

Acrylonitrile

0 references

Identifiers

GND ID

4141320-9

1 reference

National Library of Israel Names and Subjects Authority File

1 reference

Library of Congress authority ID

sh87000843

subject named as

Acrylonitrile

1 reference

Integrated Authority File

0 references

akrylonitril

0 references

InChI

InChI=1S/C3H3N/c1-2-3-4/h2H,1H2

1 reference

ACRYLONITRILE (English)

19 October 2016

2 references

ACRYLONITRILE (English)

19 October 2016

ChEBI release 2020-09-01

2 references

acrylonitrile (English)

19 October 2016

https://commonchemistry.cas.org/detail?cas_rn=107-13-1

1 reference

Acrylonitrile (English)

19 October 2016

2 references

ACRYLONITRILE (English)

19 October 2016

Reaxys registry number

605310

1 reference

acrylonitrile (English)

19 October 2016

ChEBI ID

28217

mapping relation type

2 references

acrylonitrile (English)

19 October 2016

International Chemical Identifier

InChI

InChI=1S/C3H3N/c1-2-3-4/h2H,1H2

1 reference

MSBNK-Fac_Eng_Univ_Tokyo-JP000948

ACRYLONITRILE (English)

19 October 2016

1 reference

MassBank accession ID

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP004297

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP007366

0 references

SPLASH

splash10-0udi-9000000000-71e029b11b3af3c757fa

0 references

splash10-0udi-9000000000-7a856e7548b46b71236f

0 references

NMRShiftDB structure ID

10015855

1 reference

0 references

0 references

1 reference

Catalan Wikipedia

RTECS number

AT5250000

1 reference

Hazardous Substances Data Bank

0 references

1 reference

28 October 2019

Acrylonitrile (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

MP1U0D42PE

acrylonitrile (English)

ECHA Substance Infocard ID

19 October 2016

100.003.152

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.003.152

27 December 2018

OSHA Occupational Chemical Database ID

Acrylonitrile (English)

quotation

CAS no.: 107-13-1 (English)

0 references

1 reference

28 December 2019

ACRYLONITRILE (English)

quotation

CAS no.: 107-13-1 (English)

PesticideInfo chemical ID

0 references

0 references

Acrylonitrile

1 reference

Human Metabolome Database ID

Medical Subject Headings

14 March 2018

0 references

HMDB0247972

2 references

based on heuristic

inferred from InChIKey

UNII

MP1U0D42PE

2 references

Global Substance Registration System

UNII

MP1U0D42PE

acrylonitrile (English)

19 October 2016

KEGG ID

C01998

1 reference

Art & Architecture Thesaurus ID

0 references

29261000

0 references

0 references

0 references

1 reference

6 April 2020

0 references

Encyclopædia Britannica Online ID

science/acrylonitrile

subject named as

acrylonitrile

0 references

Encyclopedia of China (Third Edition) ID

0 references

0 references

1 reference

28 October 2013

Gran Enciclopèdia Catalana ID

acrilonitril

0 references

Gran Enciclopèdia Catalana ID (former scheme)

0074582

0 references

Great Russian Encyclopedia Online ID (old version)

1807114

subject named as

АКРИЛОНИТРИЛ

0 references

HCIS ID

94

0 references

Hrvatska enciklopedija ID

0 references

1 reference

9 July 2020

Microsoft Academic ID

0 references

1 reference

26 January 2022

https://docs.openalex.org/download-snapshot/snapshot-data-format

1 reference

4LJJ (English)

19 October 2016

1 reference

inferred by common MeSH mappings on source and on Wikidata

German Wikipedia

Store norske leksikon ID

0 references

1 reference

24 May 2023

0 references

akryylinitriili

akrylnitril

acrylonitrile

1 reference

YSO-Wikidata mapping project