(2,3-dichlorophenyl)(oxo)acetonitrile

2,3-Dichloro-α-oxobenzeneacetonitrile
2,3-Dichlorobenzoyl cyanide
2,3-Dichlorobenzoyl nitrile
2-(2,3-Dichlorophenyl)-2-oxoacetonitrile
Benzeneacetonitrile, 2,3-dichloro-α-oxo-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	FIBBFBXFASKAON-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H3Cl2NO/c9-6-3-1-2-5(8(6)10)7(12)4-11/h1-3H
IUPAC name chemrof:IUPAC_name	(2,3-dichlorophenyl)(oxo)acetonitrile
Molecular formula chemrof:molecular_formula	C8H3Cl2NO
Molecular mass chemrof:molecular_mass	200.024
Monoisotopic mass chemrof:monoisotopic_mass	198.959169
SMILES string chemrof:smiles_string	N#CC(=O)c1cccc(Cl)c1Cl

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=77668-42-9	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.071.568	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID80228306	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3K95NM9ZHZ	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J309.426J	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/2735968	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q72465587	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
80ffb874-7c52-416d-9ae8-9b9ca232ee6c	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
09c8377a-0c6a-40a6-8494-d85b49463d3a	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
25d30f8e-f0e5-463c-81e6-b23ae81190b0	Environmental → Air → Indoor	EF 3.1	kg	2
a8b1998c-c0e5-4c12-8f2e-3fe1eb7d083f	Environmental → Air → Long-term	EF 3.1	kg	0
ad14eddb-4c17-4896-a4c2-37cf7c2d58c8	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
d7e56c53-7994-475a-929b-2857c6becfb9	Environmental → Air → Unknown	EF 3.1	kg	2
69b63dce-13af-4679-a908-086c86a44e42	Environmental → Ground → Agricultural	EF 3.1	kg	2
2a5531be-9e2d-4bf0-886a-3f54be87acc0	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
e33ee1d4-0be5-4277-bf4a-8966940c635b	Environmental → Ground → Unknown	EF 3.1	kg	2
6b0b3174-c0eb-43e9-ab56-8aecf4964f33	Environmental → Water → Long-term	EF 3.1	kg	0
869718cd-2f1d-4aa8-a840-b97e23dda055	Environmental → Water → Ocean	EF 3.1	kg	2
682afbdb-9312-47fc-8a28-bfe9c3a021ff	Environmental → Water → Surface water	EF 3.1	kg	2
bf52b994-384f-4fec-a58e-4d1d220baa36	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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}

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(2,3-dichlorophenyl)(oxo)acetonitrile

Identity

Structure

Alternative labels

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