1-chloro-4-isocyanato-2-(trifluoromethyl) Benzene

1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene
3-Trifluoromethyl-4-chlorophenyl isocyanate
4-Chloro-1-isocyanato-3-trifluoromethylbenzene
4-Chloro-3-(trifluoromethyl)phenyl isocyanate
4-Chloro-α,α,α-trifluoro-m-tolyl isocyanate
Benzene, 1-chloro-4-isocyanato-2-(trifluoromethyl)-
Isocyanic acid, 4-chloro-α,α,α-trifluoro-m-tolyl ester

Property	Value
InChI2D key string chemrof:inchi2d_key_string	NBJZEUQTGLSUOB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H
IUPAC name chemrof:IUPAC_name	1-chloro-4-isocyanato-2-(trifluoromethyl) Benzene
Molecular formula chemrof:molecular_formula	C8H3ClF3NO
Molecular mass chemrof:molecular_mass	221.565
Monoisotopic mass chemrof:monoisotopic_mass	220.985526
SMILES string chemrof:smiles_string	O=C=Nc1ccc(Cl)c(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=327-78-6	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.104.453	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.117.647	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID70369818	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6TE36JKP7L	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.820.989D	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/2733265	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q72460345	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
f59de89e-57fe-4279-93ea-dec35f0802ce	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
692ce833-78fd-4cb0-82d8-7f5da8b860a3	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
9666f4b1-7dbe-4967-a710-6b8d925a2d62	Environmental → Air → Indoor	EF 3.1	kg	2
f80c3a99-4731-4a45-b6bc-1a1143da5dd2	Environmental → Air → Long-term	EF 3.1	kg	0
886c46cc-5a23-4516-9f54-a2f7ad796b1c	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
d9da5389-fe84-484d-9eb0-8b2ae2f1162b	Environmental → Air → Unknown	EF 3.1	kg	2
63cdec6a-28fe-4dd1-8cf3-eb8547f20293	Environmental → Ground → Agricultural	EF 3.1	kg	2
71678c1c-d01e-4453-bb99-f4f66d7fffca	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
9aa03116-9337-4d71-bde9-e40abadacb98	Environmental → Ground → Unknown	EF 3.1	kg	2
96301ed1-0c7e-4003-8c5f-55142f80db43	Environmental → Water → Long-term	EF 3.1	kg	0
37610b15-bd13-4e2a-9510-881574cdc306	Environmental → Water → Ocean	EF 3.1	kg	2
41dabe15-49a6-43e3-bd34-bd9284725dae	Environmental → Water → Surface water	EF 3.1	kg	2
4ddbcd97-7503-4a6c-885a-1d42049b8ef4	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

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Flow object JSON

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1-chloro-4-isocyanato-2-(trifluoromethyl) Benzene

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