4-methyl-3-nitrobenzoic Acid

3-Nitro-4-methylbenzoic acid
3-Nitro-p-toluic acid
Benzoic acid, 4-methyl-3-nitro-
p-Toluic acid, 3-nitro-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	BBEWSMNRCUXQRF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H7NO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11)
IUPAC name chemrof:IUPAC_name	4-methyl-3-nitro-benzoic acid, 4-methyl-3-nitrobenzoic acid
Molecular formula chemrof:molecular_formula	C8H7NO4
Molecular mass chemrof:molecular_mass	181.147
Monoisotopic mass chemrof:monoisotopic_mass	181.037508
SMILES string chemrof:smiles_string	CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

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=96-98-0	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.002.319	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID6025642	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=50659	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1488599	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4SVO2C6KJ2	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J62.021A	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/7319	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#2811	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q72493453	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
54f308f6-9598-48da-b81b-20e303ab8324	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
10b68985-1e81-4d3b-b03e-4e6efc1a2d7d	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
cd30fae6-0d0b-4c01-ae69-821239ff1d5f	Environmental → Air → Indoor	EF 3.1	kg	2
d280be5b-64fd-4a4b-ae2e-bdd4f15227d1	Environmental → Air → Long-term	EF 3.1	kg	0
d6321f81-671e-4d4c-b4e7-cf194170326b	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
23774940-6dc4-4416-b6ad-81bffd9d6a83	Environmental → Air → Unknown	EF 3.1	kg	2
e4be16d4-8065-46f2-9bcd-3b0e3fd4ba27	Environmental → Ground → Agricultural	EF 3.1	kg	2
7f124801-ebd0-4421-9b85-29e5307ed1f5	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
afb7df51-30c9-4c63-bd4e-00678bcd1ad8	Environmental → Ground → Unknown	EF 3.1	kg	2
b649a302-ec24-49c0-9b74-2537849454dd	Environmental → Water → Long-term	EF 3.1	kg	0
e7c20e61-10c7-46e3-9b70-3409c6be9212	Environmental → Water → Ocean	EF 3.1	kg	2
cb273adc-a210-4f5f-b951-f3f6e76dd8d3	Environmental → Water → Surface water	EF 3.1	kg	2
23097e5e-ec65-47aa-888c-ce208c0fb136	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-c8f5758d10d308a8",
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4-methyl-3-nitrobenzoic Acid

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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