Dimethyl 2-nitroterephthalate

1,4-Benzenedicarboxylic acid, 2-nitro-, 1,4-dimethyl ester
1,4-Benzenedicarboxylic acid, 2-nitro-, dimethyl ester
1,4-Dimethyl 2-nitrobenzene-1,4-dicarboxylate
1-Nitrobenzene-2,5-dicarboxylic acid dimethyl ester
Dimethyl 2-nitro-1,4-benzenedicarboxylate
Dimethyl nitroterephthalate
Dimethyl o-nitroterephthalate
Terephthalic acid, nitro-, dimethyl ester

Property	Value
InChI2D key string chemrof:inchi2d_key_string	PAYWCKGMOYQZAW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C10H9NO6/c1-16-9(12)6-3-4-7(10(13)17-2)8(5-6)11(14)15/h3-5H,1-2H3
IUPAC name chemrof:IUPAC_name	Dimethyl 2-nitroterephthalate
Molecular formula chemrof:molecular_formula	C10H9NO6
Molecular mass chemrof:molecular_mass	239.183
Monoisotopic mass chemrof:monoisotopic_mass	239.042987
SMILES string chemrof:smiles_string	COC(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1

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=5292-45-5	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.023.759	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID5022223	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5056	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/59QLU09DZ4	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J208.799E	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/21364	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27261712	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q72471048	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
bac24563-920e-4c1e-899e-00dba9f9001a	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
03dbb52e-4785-4c4b-9ef7-68a3b2189323	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
ff6d991a-ca38-4757-9563-14d16676d171	Environmental → Air → Indoor	EF 3.1	kg	2
08b7a52e-d65b-4cde-8ee3-468d6a4c1dd2	Environmental → Air → Long-term	EF 3.1	kg	0
2677ebbc-c9ce-4648-8bce-77a2cd3a83ea	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
687234a0-c4f5-498f-8fc9-8a01cb0bc728	Environmental → Air → Unknown	EF 3.1	kg	2
c489f934-bace-4583-a13b-837231dd325e	Environmental → Ground → Agricultural	EF 3.1	kg	2
0caca091-be56-4b6a-9c50-c204d57dc5a2	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
39664584-fa40-44ce-ac89-05b1d23ce58b	Environmental → Ground → Unknown	EF 3.1	kg	2
9adec75f-586d-4a48-92e7-d8b7df03b861	Environmental → Water → Long-term	EF 3.1	kg	0
71b1dd54-5b72-4542-90f3-773c12de4e00	Environmental → Water → Ocean	EF 3.1	kg	2
fa338862-5c90-4b93-b75e-bd87baf5dba1	Environmental → Water → Surface water	EF 3.1	kg	2
fcbec8b7-1e9c-41f5-a294-cdfd6d2ba528	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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Dimethyl 2-nitroterephthalate

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Structure

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