1-methyl-4-(methylsulfonyl)-2-nitrobenzene

1-Methyl-4-methylsulfonyl-2-nitrobenzene
2-Nitro-4-methanesulfone toluene
2-Nitro-4-methylsulfone toluene
2-Nitro-4-methylsulfonyltoluene
4-Methylsulfonyl-1-methyl-2-nitrobenzene
4-Methylsulfonyl-2-nitrotoluene
Benzene, 1-methyl-4-(methylsulfonyl)-2-nitro-
Sulfone, methyl 3-nitro-p-tolyl

Property	Value
InChI2D key string chemrof:inchi2d_key_string	OXBDLEXAVKAJFD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H9NO4S/c1-6-3-4-7(14(2,12)13)5-8(6)9(10)11/h3-5H,1-2H3
IUPAC name chemrof:IUPAC_name	1-methyl-4-(methylsulfonyl)-2-nitrobenzene
Molecular formula chemrof:molecular_formula	C8H9NO4S
Molecular mass chemrof:molecular_mass	215.23
Monoisotopic mass chemrof:monoisotopic_mass	215.025229
SMILES string chemrof:smiles_string	Cc1ccc(S(C)(=O)=O)cc1[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=1671-49-4	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.102.887	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.133.796	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID30350742	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.595.742A	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/687125	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q72495013	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
4a7686de-4c73-44a9-b6b8-874011bb5c50	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
09fd5d3e-20d2-4d31-96f1-a85590dd23ee	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
b0e92e0c-e8a8-4579-8f77-23eb9bfeba2d	Environmental → Air → Indoor	EF 3.1	kg	4
43de4e35-838f-46a8-8d53-4b450a87623d	Environmental → Air → Long-term	EF 3.1	kg	0
36481994-1458-49c8-a69a-a917563ee120	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
33b77eb9-2c6b-484f-9afa-ca89d9aee5fe	Environmental → Air → Unknown	EF 3.1	kg	4
b9d9de92-c33b-4ca1-a34e-4d2e0c4dc0bc	Environmental → Ground → Agricultural	EF 3.1	kg	4
e27e4536-298d-4ab7-bb03-7458d0b6229a	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
9cf35094-7ac4-40c0-acd3-aed3fa36fbef	Environmental → Ground → Unknown	EF 3.1	kg	4
fdb1c4bd-e01f-4093-8b6d-496ae9e3ef70	Environmental → Water → Long-term	EF 3.1	kg	0
9bc2881c-238e-49a9-9783-032d58d6d893	Environmental → Water → Ocean	EF 3.1	kg	4
4da78008-9caf-482c-b905-1d1329c72d30	Environmental → Water → Surface water	EF 3.1	kg	4
d28696ff-2a3c-4236-a654-96e17026eee5	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

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1-methyl-4-(methylsulfonyl)-2-nitrobenzene

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Structure

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