4-chloro-2-nitrotoluene

1-Chloro-4-methyl-3-nitrobenzene
2-Methyl-5-chloronitrobenzene
2-Nitro-4-chlorotoluene
4-Chloro-1-methyl-2-nitrobenzene
4-Chloro-2-nitro-1-methylbenzene
Benzene, 4-chloro-1-methyl-2-nitro-
p-Chloro-o-nitrotoluene
Toluene, 4-chloro-2-nitro-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	SQFLFRQWPBEDHM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3
IUPAC name chemrof:IUPAC_name	4-chloro-2-nitrotoluene
Molecular formula chemrof:molecular_formula	C7H6ClNO2
Molecular mass chemrof:molecular_mass	171.583
Monoisotopic mass chemrof:monoisotopic_mass	171.008706
SMILES string chemrof:smiles_string	Cc1ccc(Cl)cc1[N+](=O)[O-]

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=89-59-8	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.001.747	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID4058994	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5386	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PR8KNC8RQW	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J59.690F	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/6975	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q19820040	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
9b128e18-060a-4ec9-b258-7af80c825238	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
7de08047-816a-424b-a1cf-90987a671f7e	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
c6f904ac-c821-483d-8281-1a593d99d11d	Environmental → Air → Indoor	EF 3.1	kg	2
a2f7d617-2262-4358-ae22-d1bb91a24838	Environmental → Air → Long-term	EF 3.1	kg	0
9df8da39-4a60-480e-83a0-cc6e27fad9ce	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
531d12d7-aa26-4ece-8c3a-b31b99b5891b	Environmental → Air → Unknown	EF 3.1	kg	2
e09044a4-d9fc-4020-96e2-d60fcde721bc	Environmental → Ground → Agricultural	EF 3.1	kg	2
ff1b8288-ff04-4f1e-b2f1-147c83a9e7f1	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
00c9708d-7b33-4cb3-883f-db3880d236d8	Environmental → Ground → Unknown	EF 3.1	kg	2
48b9df6a-a4d3-4a22-9bdc-b3aea9776319	Environmental → Water → Long-term	EF 3.1	kg	0
656a42fb-9aa9-46d0-b555-b6219f4d973b	Environmental → Water → Ocean	EF 3.1	kg	2
077daddd-a4d0-44ea-9215-21646d61a4c0	Environmental → Water → Surface water	EF 3.1	kg	2
b466c9b9-8185-4214-8716-febe52129d6d	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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4-chloro-2-nitrotoluene

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