1,3-dichloro-4-(trichloromethyl)benzene

2,4,α,α,α-Pentachlorotoluene
2,4-Dichloro-1-(trichloromethyl)benzene
2,4-Dichlorobenzotrichloride
2,4-Dichlorophenyltrichloromethane
Benzene, 2,4-dichloro-1-(trichloromethyl)-
Toluene, α,α,α,2,4-pentachloro-
α,α,α,2,4-Pentachlorotoluene

Property	Value
InChI2D key string chemrof:inchi2d_key_string	KZSNBJMYJWDVTK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H3Cl5/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H
IUPAC name chemrof:IUPAC_name	1,3-dichloro-4-(trichloromethyl)benzene
Molecular formula chemrof:molecular_formula	C7H3Cl5
Molecular mass chemrof:molecular_mass	264.366
Monoisotopic mass chemrof:monoisotopic_mass	261.867738
SMILES string chemrof:smiles_string	Clc1ccc(C(Cl)(Cl)Cl)c(Cl)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=13014-18-1	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.032.593	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID3025839	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=403840	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1560541	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3JE22G4JRY	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J140.754F	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/25607	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#3261	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q27257297	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
9568dcfc-168d-4f2a-a324-e689add381df	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
955cd406-943b-422b-a649-3f92679be8e1	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
aa317019-70e3-408b-8880-1dc4ea5fad96	Environmental → Air → Indoor	EF 3.1	kg	2
2a3a3f78-950a-4df0-a526-7163883e9683	Environmental → Air → Long-term	EF 3.1	kg	0
1d93b1ad-e667-43bd-b571-7ea63594ae0f	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
a25690b1-112b-4b61-a713-8571b99857f7	Environmental → Air → Unknown	EF 3.1	kg	2
21565c37-9cb8-4fb0-a37e-915f2de6a2d1	Environmental → Ground → Agricultural	EF 3.1	kg	2
6c53059e-130a-447b-9df5-3a5cbbbc745d	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
b27124db-1146-45bf-8e86-9d0db1a1695e	Environmental → Ground → Unknown	EF 3.1	kg	2
d7ee9236-b608-4e4a-a1d9-7db7f35454b9	Environmental → Water → Long-term	EF 3.1	kg	0
9c6888db-61ed-4fe9-ace5-72e35b5b0f34	Environmental → Water → Ocean	EF 3.1	kg	2
1980a0c5-6d73-4148-ba58-2eb9bc3a05eb	Environmental → Water → Surface water	EF 3.1	kg	2
340fad53-e3a4-4422-ae0b-4cdfe71e4f97	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-ac09c715c4a9370b",
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      "@value": "2,4-Dichlorobenzotrichloride",
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}

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1,3-dichloro-4-(trichloromethyl)benzene

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Structure

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