2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene

1,3-Dinitro-2-chloro-5-(trifluoromethyl)benzene
1-Chloro-2,6-dinitro-4-(trifluoromethyl)benzene
2,6-Dinitro-4-(trifluoromethyl)chlorobenzene
3,5-Dinitro-4-chlorobenzotrifluoride
3,5-Dinitro-4-chlorotrifluoromethylbenzene
4-(Trifluoromethyl)-2,6-dinitrochlorobenzene
4-Chloro-3,5-dinitro-α,α,α-trifluorotoluene
4-Chloro-3,5-dinitrobenzotrifluoride
4-Chloro-α,α,α-trifluoro-3,5-dinitrotoluene
Benzene, 2-chloro-1,3-dinitro-5-(trifluoromethyl)-
Chloralin
Toluene, 4-chloro-α,α,α-trifluoro-3,5-dinitro-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	HFHAVERNVFNSHL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H2ClF3N2O4/c8-6-4(12(14)15)1-3(7(9,10)11)2-5(6)13(16)17/h1-2H
IUPAC name chemrof:IUPAC_name	2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene
Molecular formula chemrof:molecular_formula	C7H2ClF3N2O4
Molecular mass chemrof:molecular_mass	270.55
Monoisotopic mass chemrof:monoisotopic_mass	269.965519
SMILES string chemrof:smiles_string	O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Cl

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=393-75-9	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.006.264	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID8024781	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=88274	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL144530	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/T97IUB50MN	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0246388	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J29.541H	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/9809	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#2811	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q15632822	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
b6623462-9bcd-4998-9792-a67434b375b4	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
c4de5802-5b4d-409e-92ae-9f298e2cc87f	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
0287f8d2-3d7e-4348-b78f-14fba36e2ea2	Environmental → Air → Indoor	EF 3.1	kg	2
23a3b759-d0b6-4fd2-9e8b-b4af2d3fadf2	Environmental → Air → Long-term	EF 3.1	kg	0
23e87c16-e81a-4489-bda9-5f553b2d1ce6	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
d9fdc0a3-3978-4cd3-8cf1-281333e5c141	Environmental → Air → Unknown	EF 3.1	kg	2
46ed6dd7-e114-4047-9cbc-2eac36940757	Environmental → Ground → Agricultural	EF 3.1	kg	2
7ed32ade-5acc-4ccd-b190-a3ec94fe9923	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
33f4714c-ff29-463f-996a-a560f6211272	Environmental → Ground → Unknown	EF 3.1	kg	2
f9e07368-9457-42d4-af26-5cc95f92489a	Environmental → Water → Long-term	EF 3.1	kg	0
d3de40a7-1b74-4c79-9fba-0b52de4a2cea	Environmental → Water → Ocean	EF 3.1	kg	2
486ce6b3-6337-405a-a36b-16e5b0ab4473	Environmental → Water → Surface water	EF 3.1	kg	2
0e3ce1b4-6226-4000-88de-d8a054f34338	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

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      "@value": "2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene",
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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

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