1,3-dichloro-5-isocyanatobenzene

3,5-Dichloro-1-isocyanatobenzene
3,5-Dichlorophenyl isocyanate
Benzene, 1,3-dichloro-5-isocyanato-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	XEFUJGURFLOFAN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H3Cl2NO/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H
IUPAC name chemrof:IUPAC_name	1,3-dichloro-5-isocyanatobenzene
Molecular formula chemrof:molecular_formula	C7H3Cl2NO
Molecular mass chemrof:molecular_mass	188.013
Monoisotopic mass chemrof:monoisotopic_mass	186.959169
SMILES string chemrof:smiles_string	O=C=Nc1cc(Cl)cc(Cl)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=34893-92-0	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.047.509	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID2067878	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J30.182E	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/94460	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q72467497	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
75d0bb9c-03c1-420a-a700-69dc6693a40c	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
3531df52-4ff1-482e-8d72-681703103229	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
c8db45d8-1ea7-4c04-a4d8-710b15d1abc0	Environmental → Air → Indoor	EF 3.1	kg	2
8e71159a-8b6e-4c89-848e-c379d9f41d4c	Environmental → Air → Long-term	EF 3.1	kg	0
d97aa246-da66-445b-93f5-98e359b1441e	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
bfeea1db-05c1-488d-a139-d0c298d5edc9	Environmental → Air → Unknown	EF 3.1	kg	2
8410d620-a3b5-422a-afff-e4a236095285	Environmental → Ground → Agricultural	EF 3.1	kg	2
6f168abe-0115-4ca4-9d02-e511b601fade	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
8a5905ce-39b2-4432-8d8b-4a7e1888e449	Environmental → Ground → Unknown	EF 3.1	kg	2
15694d23-0a8c-4a68-a784-1b8ba28649c5	Environmental → Water → Long-term	EF 3.1	kg	0
881c1636-681a-44c4-b978-71466359aa30	Environmental → Water → Ocean	EF 3.1	kg	2
5cb3aed4-bcb0-4b6c-a9da-17cfed8ab683	Environmental → Water → Surface water	EF 3.1	kg	2
fcb49bf8-4015-4e8f-aef6-d7c12435f0c2	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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1,3-dichloro-5-isocyanatobenzene

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