Isobutyl Nitrite

2-methylpropyl nitrite
Blackjack
IBN
iso-Butyl nitrite
Isobutylnitrit
nitrous acid, 2-methylpropyl ester
nitrous acid, isobutyl ester

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	APNSGVMLAYLYCT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C4H9NO2/c1-4(2)3-7-5-6/h4H,3H2,1-2H3
IUPAC name chemrof:IUPAC_name	Isobutyl Nitrite
Molecular formula chemrof:molecular_formula	C4H9NO2
Molecular mass chemrof:molecular_mass	103.121
Monoisotopic mass chemrof:monoisotopic_mass	103.063329, 103.06333
SMILES string chemrof:smiles_string	CC(C)CON=O

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
beilstein	beilstein:1699518	enrich_references.chebi_xrefs
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=542-56-3	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:46643	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.008.018	enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org	https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1651	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID3020750	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1526886	enrich_references.pubchem_identifier_url
gmelin	gmelin:164413	enrich_references.chebi_xrefs
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GW9WAB6QOM	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0253612	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.509H	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56669	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/10958	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#1992	enrich_references.pubchem_identifier_url
wikidata.org	https://www.wikidata.org/wiki/Q1151479	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Isobutyl_nitrite	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
f44b2fdc-edee-43a0-9c91-d0702314abbf	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
eb4abab5-c9ef-482e-b359-fe088abc892c	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
637b5f4d-2c30-4c2f-81c1-dab730ab77c0	Environmental → Air → Indoor	EF 3.1	kg	2
0a6f3f8e-9e3b-48ab-b761-c2d988635820	Environmental → Air → Long-term	EF 3.1	kg	0
4430ed66-d9ef-4e2f-962c-39734e745476	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
653a99ee-a6ce-4625-8b04-aa8ddd440fad	Environmental → Air → Unknown	EF 3.1	kg	2
c02d85b6-30d1-419e-959e-f56871bd61e1	Environmental → Ground → Agricultural	EF 3.1	kg	2
3aaac772-0097-4870-847d-e8b46412a522	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
1ceed574-675f-4d19-a7d3-23881ab3d92b	Environmental → Ground → Unknown	EF 3.1	kg	2
5885178e-50f7-4d99-951b-be57eeb0c957	Environmental → Water → Long-term	EF 3.1	kg	0
9b975834-96a1-4b91-bea2-8818ea7271dc	Environmental → Water → Ocean	EF 3.1	kg	2
a7966fc4-1a56-4408-b92d-995518200864	Environmental → Water → Surface water	EF 3.1	kg	2
cd50ad99-3ea5-4a95-8ae8-868703a8476d	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (57 changes)

Open the changes page

Flow object JSON

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Isobutyl Nitrite

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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