1,3-dichloro-4-nitrobenzene

2,4-Dichloro-1-nitrobenzene
2,4-Dichloronitrobenzene
4-Nitro-1,3-dichlorobenzene
Benzene, 2,4-dichloro-1-nitro-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	QUIMTLZDMCNYGY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C6H3Cl2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H
IUPAC name chemrof:IUPAC_name	1,3-dichloro-4-nitrobenzene
Molecular formula chemrof:molecular_formula	C6H3Cl2NO2
Molecular mass chemrof:molecular_mass	192.001
Monoisotopic mass chemrof:monoisotopic_mass	190.954084
SMILES string chemrof:smiles_string	O=[N+]([O-])c1ccc(Cl)cc1Cl

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=611-06-3	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.009.318	enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org	https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0252	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID3024998	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=43196	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL166050	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/85P1A896RR	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.081H	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/11899	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#2811	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q2705544	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
857c053a-98d8-457e-9af2-c00e8307d251	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
081fb28b-2990-4bcb-a961-15aaf50a446f	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
c1bbce94-3bc0-43c3-b492-3bcc42e08737	Environmental → Air → Indoor	EF 3.1	kg	2
8f2fadc9-fc35-4e9a-8157-abf6dc4628f5	Environmental → Air → Long-term	EF 3.1	kg	0
ec306726-19be-480a-927f-26fc2e867cb2	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
fea1d240-88ae-480a-b61c-e17ee3a34305	Environmental → Air → Unknown	EF 3.1	kg	2
964873a8-6725-4629-ae65-1c0deb707ae7	Environmental → Ground → Agricultural	EF 3.1	kg	2
33265f5e-4d9b-4d76-8c8f-8d643c84e474	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
d83a0e6f-7f68-43d0-9a25-e1b042063ed4	Environmental → Ground → Unknown	EF 3.1	kg	2
1a720964-e97d-4cf5-ba72-b631d5426cc9	Environmental → Water → Long-term	EF 3.1	kg	0
502872a9-42f5-4f9f-b507-1824e8f1686d	Environmental → Water → Ocean	EF 3.1	kg	2
5ba67a00-25d8-4ac9-9d81-bd6d05bd4f52	Environmental → Water → Surface water	EF 3.1	kg	2
c0e850b8-2d8f-40bd-ba6d-94374f248b9b	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-83456b98fafcbcaf",
  "prefLabel": [
    {
      "@value": "1,3-dichloro-4-nitrobenzene",
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        "prov:wasDerivedFrom": "legacy name field"
      }
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  ],
  "altLabel": [
    {
      "@value": "2,4-Dichloro-1-nitrobenzene",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "2,4-Dichloronitrobenzene",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "4-Nitro-1,3-dichlorobenzene",
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}

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1,3-dichloro-4-nitrobenzene

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Structure

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