4-chloro-1-nitro-2-(trifluoromethyl)benzene

2-Nitro-5-chlorobenzotrifluoride
4-Chloro-2-(trifluoromethyl)nitrobenzene
4-Nitro-3-trifluoromethyl-1-chlorobenzene
5-Chloro-2-nitro(trifluoromethyl)benzene
5-Chloro-2-nitro-1-(trifluoromethyl)benzene
5-Chloro-2-nitrobenzotrifluoride
5-Chloro-α,α,α-trifluoro-2-nitrotoluene
Benzene, 4-chloro-1-nitro-2-(trifluoromethyl)-
Toluene, 5-chloro-α,α,α-trifluoro-2-nitro-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	CFPIGEXZPWTNOR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H3ClF3NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H
IUPAC name chemrof:IUPAC_name	4-chloro-1-nitro-2-(trifluoromethyl)benzene
Molecular formula chemrof:molecular_formula	C7H3ClF3NO2
Molecular mass chemrof:molecular_mass	225.553
Monoisotopic mass chemrof:monoisotopic_mass	224.980441
SMILES string chemrof:smiles_string	O=[N+]([O-])c1ccc(Cl)cc1C(F)(F)F

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=118-83-2	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.003.892	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID30151998	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/NN9BZF8WYA	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J141.352J	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/67052	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q72455777	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
59aef3df-a197-4e43-8c0c-f4207b3f0df0	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
3d6f75be-e17f-4a10-a444-ac7ffa648cd2	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
e38cda3b-cf73-4563-a0b7-da8f13144940	Environmental → Air → Indoor	EF 3.1	kg	2
ef2b9e62-1cb2-4e96-a8e7-3fb4fd6d7b3e	Environmental → Air → Long-term	EF 3.1	kg	0
adc67700-ed16-40fd-908e-31add05acead	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
0f5f0f16-0409-4d51-ab46-4254fd0e0aa9	Environmental → Air → Unknown	EF 3.1	kg	2
5e478b01-1bdc-49aa-8b4a-fda3dd8ca5ea	Environmental → Ground → Agricultural	EF 3.1	kg	2
b36b0381-5e55-4430-9917-8cd4b06cc28a	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
911c79e6-2a9d-4785-a3dc-910a88fe682a	Environmental → Ground → Unknown	EF 3.1	kg	2
12be5830-68a4-4407-976c-470ef46ee3c0	Environmental → Water → Long-term	EF 3.1	kg	0
fedfcb38-bd5a-4505-9136-6e290c653bd9	Environmental → Water → Ocean	EF 3.1	kg	2
4ba7f50a-002a-4e71-9247-007deefa239d	Environmental → Water → Surface water	EF 3.1	kg	2
26edd517-6d69-4065-b73e-de221442fdf2	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (53 changes)

Open the changes page

Flow object JSON

{
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4-chloro-1-nitro-2-(trifluoromethyl)benzene

Identity

Structure

Alternative labels

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Elementary flows

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