2-chloro-4-nitrotoluene

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

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	LLYXJBROWQDVMI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H6ClNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3
IUPAC name chemrof:IUPAC_name	2-chloro-4-nitrotoluene
Molecular formula chemrof:molecular_formula	C7H6ClNO2
Molecular mass chemrof:molecular_mass	171.583
Monoisotopic mass chemrof:monoisotopic_mass	171.008706, 171.00871
SMILES string chemrof:smiles_string	Cc1ccc([N+](=O)[O-])cc1Cl

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=121-86-8	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:142283	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.004.093	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID3026984	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=60111	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184617	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9T26LNR6T8	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J29.531K	enrich_references.pubchem_identifier_url
MetaCyc	https://metacyc.org/compound?orgid=META&id=CPD-18113	enrich_references.chebi_xrefs
patent	patent:EP0071038	enrich_references.chebi_xrefs
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/8491	enrich_references.pubchem_compound
PubMed	https://pubmed.ncbi.nlm.nih.gov/11823201	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/22343112	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/7364283	enrich_references.chebi_xrefs
reaxys	reaxys:1817924	enrich_references.chebi_xrefs
Wikidata	https://www.wikidata.org/wiki/Q27273149	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
c0fd851a-2eec-47c9-8da7-c57a9d751ee4	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
2a8522e8-78d7-4cfd-800c-3d03a05c84f3	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
4d0d1958-4c01-42b7-b4d7-1c1acff6171c	Environmental → Air → Indoor	EF 3.1	kg	2
beb353de-f879-4c4c-a2fc-9c9ee43cb717	Environmental → Air → Long-term	EF 3.1	kg	0
b14987b7-0993-4bae-a9b2-c39412de1259	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
7797f90c-3d9d-4ffc-82c3-ec8c888b4e7a	Environmental → Air → Unknown	EF 3.1	kg	2
e735c678-d101-48f4-b8e0-20c906c910fc	Environmental → Ground → Agricultural	EF 3.1	kg	2
ca53bdf2-27c3-48c6-abdc-afb6d795d04e	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
c3278d7a-dbaa-4606-bac4-3d7c81dfe22e	Environmental → Ground → Unknown	EF 3.1	kg	2
063fab80-155f-4f11-8396-67649bc0a8ae	Environmental → Water → Long-term	EF 3.1	kg	0
7abe1613-bc7f-4695-a81b-c33a8048f630	Environmental → Water → Ocean	EF 3.1	kg	2
e3b693c9-dda3-4b92-81b5-ef6c7cdc3e57	Environmental → Water → Surface water	EF 3.1	kg	2
2ea47d72-038d-444f-ae81-c36b87e1d3c9	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

{
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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

2-chloro-4-nitrotoluene

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

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