4-chloro-3-nitrotoluene

1-Chloro-2-nitro-4-methylbenzene
1-Chloro-4-methyl-2-nitrobenzene
2-Chloro-5-methyl-1-nitrobenzene
2-Chloro-5-methylnitrobenzene
3-Nitro-4-chlorotoluene
Benzene, 1-chloro-4-methyl-2-nitro-
Toluene, 4-chloro-3-nitro-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	NWESJZZPAJGHRZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
IUPAC name chemrof:IUPAC_name	4-chloro-3-nitrotoluene
Molecular formula chemrof:molecular_formula	C7H6ClNO2
Molecular mass chemrof:molecular_mass	171.583
Monoisotopic mass chemrof:monoisotopic_mass	171.008706
SMILES string chemrof:smiles_string	Cc1ccc(Cl)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=89-60-1	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.001.748	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID9058995	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=60721	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/JF8MPL73NZ	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J141.344I	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/6976	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q72456192	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
1255d2f3-1f00-4e3c-891b-3519dfb5d850	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
008033cf-afc9-48d6-93a3-ef889790e1ce	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
d805f4c8-099f-4102-b9a5-8c9ccb49f1c8	Environmental → Air → Indoor	EF 3.1	kg	2
c2ccf98a-a839-4adc-b9fe-bbf010809809	Environmental → Air → Long-term	EF 3.1	kg	0
84d59680-9528-4145-b78a-bc7ba11d62ad	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
fffe8672-6087-4931-b791-44e2a3cff204	Environmental → Air → Unknown	EF 3.1	kg	2
ad9047c7-0945-46c1-a9b1-86f6c7585228	Environmental → Ground → Agricultural	EF 3.1	kg	2
50fdc990-fe6f-4836-9236-a3602680b819	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
df6fa67d-074f-4801-bac2-4f6bf2205439	Environmental → Ground → Unknown	EF 3.1	kg	2
bac64dd9-f4d0-4753-9e55-5dbcdfde3f00	Environmental → Water → Long-term	EF 3.1	kg	0
22ddcf1f-eadc-4363-99eb-10ce334774e1	Environmental → Water → Ocean	EF 3.1	kg	2
dd17ce5a-d508-4132-a4cc-14cd278f902a	Environmental → Water → Surface water	EF 3.1	kg	2
eb514851-112d-4e41-bf8c-e79e5853ff1b	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-a98f2f31b2064ee5",
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  ],
  "altLabel": [
    {
      "@value": "1-Chloro-2-nitro-4-methylbenzene",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Chloro-5-methyl-1-nitrobenzene",
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    {
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    },
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}

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4-chloro-3-nitrotoluene

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