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1-chloro-3-nitrobenzene

fo-34a9e4c74b55edb5

Identity

Type
Neutral molecule
CAS
121-73-3
EC
204-496-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 1-chloro-3-nitrobenzene

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KMAQZIILEGKYQZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
IUPAC name chemrof:IUPAC_name 1-chloro-3-nitrobenzene
Molecular formula chemrof:molecular_formula C6H4ClNO2
Molecular mass chemrof:molecular_mass 157.556
Monoisotopic mass chemrof:monoisotopic_mass 156.993056, 156.99306
SMILES string chemrof:smiles_string O=[N+]([O-])c1cccc(Cl)c1

Known URLs

23

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=121-73-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82420 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.088 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1633 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4021971 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5502 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL166812 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8XSA3GF8O1 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0243845 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.489I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19364 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19364 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-18107 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8489 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1578 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11823201 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11879984 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18601274 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22998012 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9097109 enrich_references.chebi_xrefs
reaxys reaxys:1907947 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q15298267 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/3-Nitrochlorobenzene enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
07455468-79ee-4bdb-8612-8cd54ce17c57 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
796f9413-d73b-479f-898a-60360845baf8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
b9459752-5b80-4e06-971b-d32a82b1fc82 Environmental → Air → Indoor EF 3.1 kg 2
23a911c1-4104-4e42-8bcd-6fb3ceb8920d Environmental → Air → Long-term EF 3.1 kg 0
bfc8c160-02ee-4ed3-8cb9-9858d65577ea Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
6c995b67-38b9-4c1f-84e3-395fe472d7d9 Environmental → Air → Unknown EF 3.1 kg 2
e574190c-95c9-4191-b35f-d28c05b70105 Environmental → Ground → Agricultural EF 3.1 kg 2
5ab39dd2-cc29-4334-89b5-c784160f2894 Environmental → Ground → Non-agricultural EF 3.1 kg 2
7f2b7088-1afe-4fbf-953b-23c960996d6b Environmental → Ground → Unknown EF 3.1 kg 2
4f607d52-7d4c-4748-898d-26d2ab3df442 Environmental → Water → Long-term EF 3.1 kg 0
5f4b3b84-4190-4f4f-a951-5d678e0cd49f Environmental → Water → Ocean EF 3.1 kg 2
96669631-fb5d-47c7-9cd1-3054888dacf0 Environmental → Water → Surface water EF 3.1 kg 2
80bb6c9b-2ddd-4077-9e31-64f54b6fc8a6 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
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