5-nitroisophthalic Acid

1,3-Benzenedicarboxylic acid, 5-nitro-
1-Nitrobenzene-3,5-dicarboxylic acid
5-Nitro-1,3-benzenedicarboxylic acid
5-Nitro-m-phthalic acid
Isophthalic acid, 5-nitro-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	NBDAHKQJXVLAID-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H5NO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)
IUPAC name chemrof:IUPAC_name	5-nitroisophthalic Acid
Molecular formula chemrof:molecular_formula	C8H5NO6
Molecular mass chemrof:molecular_mass	211.129
Monoisotopic mass chemrof:monoisotopic_mass	211.011687
SMILES string chemrof:smiles_string	O=C(O)c1cc(C(=O)O)cc([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=618-88-2	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.009.609	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID7041540	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=66545	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2179899	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/G7RZ7LC76U	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.049.919D	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.258.613B	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.148.436I	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J27.654E	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/12069	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=019417	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q27278901	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
ff7c167e-52c8-4906-a826-e55b31f80de2	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
30a565f1-4fa0-4fd6-afbb-cd2927f44872	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
ade1507a-30c2-46dd-a72d-e861b1d94ce2	Environmental → Air → Indoor	EF 3.1	kg	2
0d776a4d-aca0-4c6f-ada5-9e50fef635d6	Environmental → Air → Long-term	EF 3.1	kg	0
f2474e36-db93-4cb5-a567-90dc1a2bd869	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
4cad4a3c-9c0a-4149-b667-f899d81ec022	Environmental → Air → Unknown	EF 3.1	kg	2
03cc336c-139e-4048-b752-a87b1b213772	Environmental → Ground → Agricultural	EF 3.1	kg	2
d0165d84-38fb-468d-b53a-2b220fe336bf	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
1d69aedd-0c99-4d93-ba56-4ff33ed9fe67	Environmental → Ground → Unknown	EF 3.1	kg	2
fc5eb534-f940-47c5-85ff-b8c658861ca9	Environmental → Water → Long-term	EF 3.1	kg	0
3c820b66-61d6-4493-8cb6-d8146bd875f6	Environmental → Water → Ocean	EF 3.1	kg	2
2f4b2756-372b-4cf4-8c22-741cabd292ce	Environmental → Water → Surface water	EF 3.1	kg	2
b4cd46fd-5fc8-416f-92c2-849f7db7298a	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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}

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5-nitroisophthalic Acid

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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