1-chloro-4-(trichloromethyl)benzene

4,α,α,α-Tetrachlorotoluene
4-Chlorobenzotrichloride
Benzene, 1-chloro-4-(trichloromethyl)-
p,α,α,α-Tetrachlorotoluene
p-(Trichloromethyl)chlorobenzene
p-Chloro-α,α,α-trichlorotoluene
p-Chlorobenzotrichloride
p-Chlorophenyltrichloromethane
Toluene, p,α,α,α-tetrachloro-
α,α,α,4-Tetrachlorotoluene
α,α,α,p-Tetrachlorotoluene
α,α,α-Trichloro-4-chlorotoluene

Property	Value
InChI2D key string chemrof:inchi2d_key_string	LVZPKYYPPLUECL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H4Cl4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
IUPAC name chemrof:IUPAC_name	1-chloro-4-(trichloromethyl)benzene
Molecular formula chemrof:molecular_formula	C7H4Cl4
Molecular mass chemrof:molecular_mass	229.921
Monoisotopic mass chemrof:monoisotopic_mass	227.906711
SMILES string chemrof:smiles_string	Clc1ccc(C(Cl)(Cl)Cl)cc1

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=5216-25-1	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.023.645	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID2027593	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2137820	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1UP9GJU33S	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J38.180B	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/21277	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#1760	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q22338118	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
4f4bb1f4-7ca8-486c-89dc-2d0ebc189488	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
6cde1893-8f2b-4256-a2f7-04008f863c92	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
0ac7755b-4d21-42ec-b7a7-b5239510d341	Environmental → Air → Indoor	EF 3.1	kg	2
c00842a8-627e-4036-995a-a630acbd0257	Environmental → Air → Long-term	EF 3.1	kg	0
37cd2864-53f9-4703-8dd4-bd9748ff1811	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
906f9d86-a06f-4642-bc5f-b59ff1488ab6	Environmental → Air → Unknown	EF 3.1	kg	2
b956e128-e2cb-482f-838a-3913f52df354	Environmental → Ground → Agricultural	EF 3.1	kg	2
b7584933-a52b-4551-b0b4-7e794cce49c0	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
04dc0635-bbf4-43cd-99fa-da905fc2315a	Environmental → Ground → Unknown	EF 3.1	kg	2
cf606322-e52b-46ff-95c3-8764efc99208	Environmental → Water → Long-term	EF 3.1	kg	0
33aee9f8-d6cc-419e-b694-fb70ab915a6b	Environmental → Water → Ocean	EF 3.1	kg	2
4b6c6702-8226-41f8-8a1e-a6fd1c6fcab1	Environmental → Water → Surface water	EF 3.1	kg	2
8f122eea-cea5-4012-8ea9-fb26ee7895cf	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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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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

1-chloro-4-(trichloromethyl)benzene

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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