4-nitrotoluene

1-Methyl-4-nitrobenzene
4-Methyl-1-nitrobenzene
4-methylnitrobenzene
4-Nitrotoluol
Benzene, 1-methyl-4-nitro-
p-methylnitrobenzene
p-nitrotoluene
para-Nitrotoluene
para-Nitrotoluol
Toluene, p-nitro-

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	ZPTVNYMJQHSSEA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
IUPAC name chemrof:IUPAC_name	4-nitrotoluene
Molecular formula chemrof:molecular_formula	C7H7NO2
Molecular mass chemrof:molecular_mass	137.138
Monoisotopic mass chemrof:monoisotopic_mass	137.047678, 137.04768
SMILES string chemrof:smiles_string	Cc1ccc([N+](=O)[O-])cc1

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
beilstein	beilstein:1906911	enrich_references.chebi_xrefs
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=99-99-0	enrich_references.chebi_xrefs
cdc.gov	https://www.cdc.gov/niosh-rtecs/XT32BC48.html	enrich_references.pubchem_identifier_url
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:35227	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.002.553	enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org	https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0932	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID5023792	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9579	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL155320	enrich_references.pubchem_identifier_url
gmelin	gmelin:26926	enrich_references.chebi_xrefs
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/E88IMG14EX	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0246551	enrich_references.pubchem_identifier_url
hts.usitc.gov	https://hts.usitc.gov/search?query=2904.20.10.00	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.999C	enrich_references.pubchem_identifier_url
KEGG	https://www.genome.jp/entry/C14394	enrich_references.chebi_xrefs
kegg.jp	https://www.kegg.jp/entry/C14394	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=52113	enrich_references.pubchem_identifier_url
pharos.nih.gov	https://pharos.nih.gov/ligands/NK75TLNZR2YQ	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/7473	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#1664	enrich_references.pubchem_identifier_url
PubMed	https://pubmed.ncbi.nlm.nih.gov/21895789	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/23389716	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/9139924	enrich_references.chebi_xrefs
reaxys	reaxys:1906911	enrich_references.chebi_xrefs
Wikidata	https://www.wikidata.org/wiki/Q2048380	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/4-Nitrotoluene	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
86ab2a0f-1983-449a-b59d-cdb549c7cf50	Environmental → Air → Aircraft cruise height	EF 3.1	kg	6
bf10c793-ebf2-41be-afeb-ec2939a0df81	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	6
a95ff00b-28ad-42a6-b1fe-061edd9e1b78	Environmental → Air → Indoor	EF 3.1	kg	6
eb4886da-8a6a-4c88-a86f-2b9ddff4d8b9	Environmental → Air → Long-term	EF 3.1	kg	0
382fbd42-92a2-45fb-b280-123ba46407e6	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	6
825d529b-2016-422d-bf5e-009aaa895f9e	Environmental → Air → Unknown	EF 3.1	kg	6
8ad1d2d2-efea-41c6-a780-bb1aae53f4b2	Environmental → Ground → Agricultural	EF 3.1	kg	6
6781e8d1-e48e-47e7-b5eb-a9a4be2a2891	Environmental → Ground → Non-agricultural	EF 3.1	kg	6
4e38dd26-4246-484a-8405-836b049cbe5e	Environmental → Ground → Unknown	EF 3.1	kg	6
56e880ed-f44e-4ddf-915a-4d963811514d	Environmental → Water → Long-term	EF 3.1	kg	0
699bfb25-cfce-4db1-ac4b-cb680d38306a	Environmental → Water → Ocean	EF 3.1	kg	6
b42eea45-f8cd-4c70-8b45-3a60a4da535c	Environmental → Water → Surface water	EF 3.1	kg	6
222d333d-fc46-44ab-8ef8-819112e49a58	Environmental → Water → Unknown	EF 3.1	kg	6

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

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4-nitrotoluene

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

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