1,4-dinitrobenzene

1,4-Dintrobenzene
Benzene, 1,4-dinitro-
Benzene, p-dinitro-
p-Dinitrobenzene
Para-dinitrobenzene

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	FYFDQJRXFWGIBS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H
IUPAC name chemrof:IUPAC_name	1,4-dinitrobenzene
Molecular formula chemrof:molecular_formula	C6H4N2O4
Molecular mass chemrof:molecular_mass	168.108
Monoisotopic mass chemrof:monoisotopic_mass	168.017107, 168.01711
SMILES string chemrof:smiles_string	O=[N+]([O-])c1ccc([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
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=100-25-4	enrich_references.chebi_xrefs
cdc.gov	https://www.cdc.gov/niosh-rtecs/CZ72D288.html	enrich_references.pubchem_identifier_url
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:51398	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.002.576	enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org	https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0692	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID0021836	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3809	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL349400	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/784Q9O56S9	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.178I	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=57729	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/7492	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#1597	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#3443	enrich_references.pubchem_identifier_url
PubMed	https://pubmed.ncbi.nlm.nih.gov/24752547	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/749274	enrich_references.chebi_xrefs
reaxys	reaxys:1105828	enrich_references.chebi_xrefs
Wikidata	https://www.wikidata.org/wiki/Q2403718	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/1,4-Dinitrobenzene	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
b2e0437d-2a62-4944-8a90-e488ddfd641b	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
8b1b79dc-b489-49a3-afa8-ae5a9d7a7b44	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
8424d59b-418c-416d-9083-d25035c11d44	Environmental → Air → Indoor	EF 3.1	kg	2
6e6555c4-ab5a-4d39-9ffd-a3d73b7140b4	Environmental → Air → Long-term	EF 3.1	kg	0
e3db42c2-c0a5-4675-9d4e-953507969ed4	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
e58e07bd-bbde-48ad-8bd8-ee3c27af776a	Environmental → Air → Unknown	EF 3.1	kg	2
90868f00-dea9-4705-a740-545602d461f4	Environmental → Ground → Agricultural	EF 3.1	kg	2
198aacc4-c679-44cb-8761-e573dad673b6	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
798a00da-56dd-49ba-a89f-4f842e750272	Environmental → Ground → Unknown	EF 3.1	kg	2
19d206bc-5ae1-410e-b8f3-ed6ebe269325	Environmental → Water → Long-term	EF 3.1	kg	0
89362d2c-1a8c-4588-82cd-14a29a34e2e7	Environmental → Water → Ocean	EF 3.1	kg	2
8330bf9b-7566-41f7-9c8a-e847f97fd806	Environmental → Water → Surface water	EF 3.1	kg	2
7479458b-b80f-4ce4-b4d2-4872ee8937c6	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

1,4-dinitrobenzene

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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