2,6-difluorobenzonitrile

Benzonitrile, 2,6-difluoro-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	BNBRIFIJRKJGEI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H3F2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
IUPAC name chemrof:IUPAC_name	2,6-difluorobenzonitrile
Molecular formula chemrof:molecular_formula	C7H3F2N
Molecular mass chemrof:molecular_mass	139.104
Monoisotopic mass chemrof:monoisotopic_mass	139.023356
SMILES string chemrof:smiles_string	N#Cc1c(F)cccc1F

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=1897-52-5	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.015.991	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID5044609	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185302	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1J58Z42A2E	enrich_references.pubchem_identifier_url
hts.usitc.gov	https://hts.usitc.gov/search?query=2926.90.19.00	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J60.952H	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/74695	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27252485	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
85208cf0-ff74-444c-ad6c-88630d608bfd	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
aad4c557-08b9-41f5-92c1-2a6c83586ece	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
3135dc02-da37-468c-8a9d-8e9b9b17dd1e	Environmental → Air → Indoor	EF 3.1	kg	2
60018696-4d32-4de4-82a9-a790ad9ae308	Environmental → Air → Long-term	EF 3.1	kg	0
5381775f-51dd-407e-ac29-e5df1c1c4377	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
3b6a9877-b686-4c7b-8f7b-8101cd964834	Environmental → Air → Unknown	EF 3.1	kg	2
7a40c8dc-6884-4801-a3f7-317a63da1363	Environmental → Ground → Agricultural	EF 3.1	kg	2
625f4cb3-26b1-4b4f-b3cf-d708f7124128	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
2996d9a5-fa03-41e3-8c00-3fb70a5e489e	Environmental → Ground → Unknown	EF 3.1	kg	2
ab784251-8f75-46c0-963d-01e5baca365d	Environmental → Water → Long-term	EF 3.1	kg	0
d0f42dba-0d79-4ebc-9d61-d85583c374c5	Environmental → Water → Ocean	EF 3.1	kg	2
82348352-6386-42b3-9e42-0c32e1b8a4af	Environmental → Water → Surface water	EF 3.1	kg	2
060f4e02-1121-4bb1-baaa-1242fa5aed18	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (53 changes)

Open the changes page

Flow object JSON

{
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  "altLabel": [
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      "@value": "Benzonitrile, 2,6-difluoro-",
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}

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2,6-difluorobenzonitrile

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

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