1-isocyanato-3-(trifluoromethyl)benzene

1-(Trifluoromethyl)-3-[isocyanato]benzene
3-(Trifluoromethyl)phenyl isocyanate
Benzene, 1-isocyanato-3-(trifluoromethyl)-
Isocyanic acid, α,α,α-trifluoro-m-tolyl ester
m-(Trifluoromethyl)phenyl isocyanate
α,α,α-Trifluoro-3-tolyl isocyanate
α,α,α-Trifluoro-m-tolyl isocyanate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	SXJYSIBLFGQAND-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H4F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H
IUPAC name chemrof:IUPAC_name	1-isocyanato-3-(trifluoromethyl)benzene
Molecular formula chemrof:molecular_formula	C8H4F3NO
Molecular mass chemrof:molecular_mass	187.12
Monoisotopic mass chemrof:monoisotopic_mass	187.024498
SMILES string chemrof:smiles_string	O=C=Nc1cccc(C(F)(F)F)c1

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=329-01-1	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.005.766	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID0027143	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1240831	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QPS7LLZ6XM	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J29I	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/9483	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#2285	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q27287440	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
2ac89083-3afb-4a07-bbb0-8c9fa0911224	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
e2c54de5-6ca7-4fa2-bf74-1444cfa3b5bb	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
6f805ff3-25ef-455c-b0e5-da1e2d5bd35c	Environmental → Air → Indoor	EF 3.1	kg	2
ab3739d4-5b2f-49b7-85fc-fed23ad55975	Environmental → Air → Long-term	EF 3.1	kg	0
c5f3af02-e626-4ae5-a398-966f6cfe53fa	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
b22b38b2-dd63-4bb1-a558-4612ce71b05d	Environmental → Air → Unknown	EF 3.1	kg	2
e72375b5-fad6-4769-b733-066753599e92	Environmental → Ground → Agricultural	EF 3.1	kg	2
e7ff3777-a665-4080-966c-58783d2624c6	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
55220a88-63ec-4f57-b868-70ee78f71198	Environmental → Ground → Unknown	EF 3.1	kg	2
8e88f6f6-d74a-462b-97e5-0ebde72ca3c9	Environmental → Water → Long-term	EF 3.1	kg	0
4227d08e-2e7b-4d18-8b7a-f69779e15ce5	Environmental → Water → Ocean	EF 3.1	kg	2
202bbdb2-a875-45b8-a2e0-efbb6093bc31	Environmental → Water → Surface water	EF 3.1	kg	2
efa01e5c-c418-4787-92b9-41d6c142e9dc	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

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Flow object JSON

{
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}

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1-isocyanato-3-(trifluoromethyl)benzene

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