2-nitropropane (Q209453)

Gene Ontology release 2019-11-16

2-nitropropane catabolic process

subject has role

reactant

1 reference

Gene Ontology release 2019-11-16

chemical structure

2-Nitropropane.png
236 × 210; 5 KB

1 reference

imported from Wikimedia project

German Wikipedia

2-Nitropropane.svg
52 × 50; 3 KB

0 references

image of molecular model or crystal lattice model

2-Nitropropane Ball and Stick.png
2,302 × 2,000; 280 KB

depicts

ball-and-stick model

0 references

mass

89.048±0 dalton

1 reference

2-nitropropane (English)

19 October 2016

associated hazard

2-nitropropane exposure

0 references

has effect

2-nitropropane exposure

1 reference

chemical formula

C₃H₇NO₂

1 reference

2-nitropropane (English)

19 October 2016

canonical SMILES

CC(C)[N ](=O)[O-]

1 reference

2-nitropropane (English)

19 October 2016

ionization energy

10.71±0.01 electronvolt

series ordinal

1

2 references

Basic laboratory and industrial chemicals: A CRC quick reference handbook

density

0.99±0.01 gram per cubic centimetre

temperature

20±1 degree Celsius

1 reference

melting point

−135±1 degree Fahrenheit

1 reference

−91.32 degree Celsius

1 reference

Basic laboratory and industrial chemicals: A CRC quick reference handbook

boiling point

249±1 degree Fahrenheit

under pressure

760±1 torr

1 reference

120.25 degree Celsius

under pressure

101.325 kilopascal

1 reference

Basic laboratory and industrial chemicals: A CRC quick reference handbook

vapor pressure

13±1 millimetre of mercury

temperature

68±1 degree Fahrenheit

1 reference

solubility

2±1 gram per 100 gram of solvent

temperature

68±1 degree Fahrenheit

solvent

water

1 reference

determination method or standard

flash point

75±1 degree Fahrenheit

Pensky–Martens closed-cup test

1 reference

lower flammable limit

2.6±0.1 volume percent

1 reference

upper flammable limit

11±1 volume percent

1 reference

safety classification and labelling

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

3

0

2

no value

1 reference

imported from Wikimedia project

English Wikipedia

NIOSH Pocket Guide ID

0460

0 references

time-weighted average exposure limit

90±1 milligram per cubic metre

applies to jurisdiction

United States of America

duration

8±1 hour

1 reference

ceiling exposure limit

0±1 milligram per cubic metre

applies to jurisdiction

no value

1 reference

immediately dangerous to life or health

364±1 milligram per cubic metre

1 reference

Class IC flammable liquid

has characteristic

1 reference

subject has role

occupational carcinogen

1 reference

carcinogen

1 reference

California Proposition 65 list of chemicals

18 March 2020

https://oehha.ca.gov/chemicals/2-nitropropane

Commons category

2-Nitropropane

0 references

Identifiers

InChI

InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3

1 reference

2-nitropropane (English)

19 October 2016

2 references

2-nitropropane (English)

19 October 2016

ChEBI release 2020-09-01

CAS Registry Number

79-46-9

2 references

Global Substance Registration System

2-nitropropane (English)

19 October 2016

https://commonchemistry.cas.org/detail?cas_rn=79-46-9

10 April 2021

1 reference

2-Nitropropane (English)

19 October 2016

2 references

2-nitropropane (English)

19 October 2016

ChEBI ID

16037

mapping relation type

3 references

2-nitropropane (English)

19 October 2016

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3

1 reference

MSBNK-RIKEN_ReSpect-PS049701

CHEMBL261886 (English)

19 October 2016

1 reference

MassBank accession ID

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

splash10-0002-9500000000-22faf50b9e3a11c4eb69

0 references

NMRShiftDB structure ID

10017008

1 reference

imported from Wikimedia project

0 references

0 references

TZ5250000

0 references

ZVG number

22410

1 reference

1 reference

Hazardous Substances Data Bank

28 October 2019

2-NITROPROPANE (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

2-nitropropane (English)

ECHA Substance Infocard ID

19 October 2016

100.001.100

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.001.100

27 December 2018

OSHA Occupational Chemical Database ID

2-nitropropane (English)

quotation

CAS no.: 79-46-9 (English)

697

0 references

PesticideInfo chemical ID

0 references

1 reference

0 references

Human Metabolome Database ID

HMDB0245265

2 references

based on heuristic

inferred from InChIKey

2 references

Global Substance Registration System

2-nitropropane (English)

19 October 2016

California Proposition 65 list of chemicals

0 references

0 references

0 references

1 reference

6 January 2020

https://oehha.ca.gov/chemicals/2-nitropropane

1 reference

28 October 2013

0 references

Microsoft Academic ID

0 references

1 reference

2GJN (English)