Α,α,α-trifluoro-2-toluonitrile

2-(Trifluoromethyl)benzonitrile
2-Cyanobenzotrifluoride
Benzonitrile, 2-(trifluoromethyl)-
o-(Trifluoromethyl)benzonitrile
o-(Trifluoromethyl)cyanobenzene
o-Cyanobenzotrifluoride
o-Tolunitrile, α,α,α-trifluoro-
α,α,α-Trifluoro-o-tolunitrile

Property	Value
InChI2D key string chemrof:inchi2d_key_string	SOZGHDCEWOLLHV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H4F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H
IUPAC name chemrof:IUPAC_name	2-(Trifluoromethyl)benzonitrile
Molecular formula chemrof:molecular_formula	C8H4F3N
Molecular mass chemrof:molecular_mass	171.121
Monoisotopic mass chemrof:monoisotopic_mass	171.029584
SMILES string chemrof:smiles_string	N#Cc1ccccc1C(F)(F)F

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=447-60-9	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.006.533	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID3022031	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=88312	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/S2CA842543	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J196.146B	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/67972	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27288486	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
37f8ffeb-c3a1-4e9f-a0e3-76053b913f4a	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
ead36ab0-ec3e-465d-97cd-bc421a4a3910	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
7b7bff91-a968-4333-bc74-deb0a21b02b0	Environmental → Air → Indoor	EF 3.1	kg	2
65376291-b117-410b-a0e1-401548d317dc	Environmental → Air → Long-term	EF 3.1	kg	0
13096ae3-d8ee-4338-8808-1c92a964b96b	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
625dd220-9c9b-43f3-83e7-3c6076a1f4f6	Environmental → Air → Unknown	EF 3.1	kg	2
5e510fb6-58f4-476c-b7c3-dbc241c27d07	Environmental → Ground → Agricultural	EF 3.1	kg	2
d97b23dc-b401-4402-95ce-0f030220226f	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
1e86a5d0-9423-4799-b46c-816a753461c5	Environmental → Ground → Unknown	EF 3.1	kg	2
b3a84fc0-7106-4f70-9cc8-39fcd43ba9df	Environmental → Water → Long-term	EF 3.1	kg	0
58c335ac-2e91-4d9e-911d-f1983c80c6ec	Environmental → Water → Ocean	EF 3.1	kg	2
9cc7bb98-6a1c-4596-a3c6-7aed824d6de0	Environmental → Water → Surface water	EF 3.1	kg	2
7bbef205-ae55-4637-8ad9-e3be8a9c539e	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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}

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Α,α,α-trifluoro-2-toluonitrile

Identity

Structure

Alternative labels

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