Butyl Isocyanate

1-Butyl isocyanate
1-isocyanatobutane
BIC
Butane, 1-isocyanato-
Isocyanic acid, butyl ester
N-Butyl isocyanate

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	HNHVTXYLRVGMHD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C5H9NO/c1-2-3-4-6-5-7/h2-4H2,1H3
IUPAC name chemrof:IUPAC_name	Butyl Isocyanate
Molecular formula chemrof:molecular_formula	C5H9NO
Molecular mass chemrof:molecular_mass	99.133
Monoisotopic mass chemrof:monoisotopic_mass	99.06841, 99.068414
SMILES string chemrof:smiles_string	CCCCN=C=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
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=111-36-4	enrich_references.chebi_xrefs
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=25067-04-3	enrich_references.pubchem_identifier_url
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:136519	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.003.512	enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org	https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1642	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID6026872	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL27104	enrich_references.pubchem_identifier_url
gmelin	gmelin:662892	enrich_references.chebi_xrefs
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XM89T89J3W	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J36.974H	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=66900	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/8110	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#2485	enrich_references.pubchem_identifier_url
PubMed	https://pubmed.ncbi.nlm.nih.gov/16091349	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/25532938	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/6821040	enrich_references.chebi_xrefs
reaxys	reaxys:773917	enrich_references.chebi_xrefs
Wikidata	https://www.wikidata.org/wiki/Q15632798	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Butyl_isocyanate	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
f3709759-a3ae-452e-9c2e-cd3e7a434f2f	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
1669f9f7-0218-4604-a528-d67efe2a95ba	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
96196cc9-dfcc-4f94-8117-5bbe08054d1c	Environmental → Air → Indoor	EF 3.1	kg	2
5fafdb48-6cff-4b14-855b-f77b7c265f93	Environmental → Air → Long-term	EF 3.1	kg	0
a97c36a8-d6dc-4836-ab2c-5a372df2bb72	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
d320682f-6f98-4c86-b1a8-2e66e8c960e6	Environmental → Air → Unknown	EF 3.1	kg	2
da8ae9ea-1bf8-4e54-a61c-565bb6052056	Environmental → Ground → Agricultural	EF 3.1	kg	2
61a53b8a-4b70-4be6-9d64-390c8ee836d8	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
46056f2a-5827-4cd5-9b75-cbafae95a222	Environmental → Ground → Unknown	EF 3.1	kg	2
8a3489c7-6d6e-4f77-bf96-591266477dca	Environmental → Water → Long-term	EF 3.1	kg	0
06819997-1e95-49b0-af0e-e211c2990f4d	Environmental → Water → Ocean	EF 3.1	kg	2
e3247453-dd61-4115-bf7c-991afc1716d2	Environmental → Water → Surface water	EF 3.1	kg	2
3556c061-3b08-4365-ad0a-93397ac21197	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Butyl Isocyanate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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