1-chloro-2-isocyanatobenzene

2-Chlorobenzene isocyanate
2-Chlorophenyl isocyanate
Benzene, 1-chloro-2-isocyanato-
Isoacyanic acid, o-chlorophenyl ester
Isocyanic acid, o-chlorophenyl ester
o-Chlorophenyl isocyanate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	NOHQUGRVHSJYMR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H4ClNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
IUPAC name chemrof:IUPAC_name	1-chloro-2-isocyanatobenzene
Molecular formula chemrof:molecular_formula	C7H4ClNO
Molecular mass chemrof:molecular_mass	153.568
Monoisotopic mass chemrof:monoisotopic_mass	152.998141
SMILES string chemrof:smiles_string	O=C=Nc1ccccc1Cl

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=3320-83-0	enrich_references.pubchem_identifier_url
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=51134-03-3	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.020.022	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.051.802	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID5062974	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8761	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J30.178G	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/76833	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q72457064	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
adf7c9f2-3107-405f-8f1b-cc531953c56f	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
39147f2f-8705-4b8b-a006-ebeb2174fb72	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
60a2a392-6c1f-4071-b292-7aeaea9aac00	Environmental → Air → Indoor	EF 3.1	kg	2
20d20dbf-1bfe-4f1e-a24c-d4db3c6a50cf	Environmental → Air → Long-term	EF 3.1	kg	0
405e99c0-fdf4-445c-84c5-1c3b4b7d5b10	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
e83a0051-c26b-4f87-aeb5-50976db3d0cb	Environmental → Air → Unknown	EF 3.1	kg	2
b7a739c6-b648-474c-a13e-a0088e96d0a5	Environmental → Ground → Agricultural	EF 3.1	kg	2
e2a0011e-5af2-46dd-9e4a-55cfc7de0d0d	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
4a15be9b-6384-4b1e-867b-168fec0e086b	Environmental → Ground → Unknown	EF 3.1	kg	2
a74dab95-90fb-42d1-ba4c-b3bfed0b0e2e	Environmental → Water → Long-term	EF 3.1	kg	0
5816e1eb-7ff2-40ad-8324-a33236ab823c	Environmental → Water → Ocean	EF 3.1	kg	2
eeed63ae-0733-4e26-9378-23ab6a023fe4	Environmental → Water → Surface water	EF 3.1	kg	2
778c807b-baed-4b68-9aa4-2f6ba936a3e5	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
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}

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1-chloro-2-isocyanatobenzene

Identity

Structure

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