1-chloro-2-(trichloromethyl)benzene

2-Chlorobenzotrichloride
Benzene, 1-chloro-2-(trichloromethyl)-
o-Chlorobenzotrichloride
o-Chlorobenzylidyne chloride
o-Chlorophenyltrichloromethane
Toluene, o,α,α,α-tetrachloro-
α,α,α,2-Tetrachlorotoluene

Property	Value
InChI2D key string chemrof:inchi2d_key_string	MFHPYLFZSCSNST-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H4Cl4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
IUPAC name chemrof:IUPAC_name	1-chloro-2-(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	Clc1ccccc1C(Cl)(Cl)Cl

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=2136-89-2	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.016.707	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID50871863	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=59736	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XVP6GZV7JN	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J127.136I	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/16494	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q72517322	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
c76399d2-2114-425e-9c0f-9b7adc0fad94	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
51ba758d-d1af-4593-97a5-c45a55635946	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
2c8f704c-bfd6-45d6-a411-439d9fbfae65	Environmental → Air → Indoor	EF 3.1	kg	2
637ecac9-4d14-425e-9d63-52fdf82ff975	Environmental → Air → Long-term	EF 3.1	kg	0
9ac4f4f8-0e3a-4bfa-be56-aa80bec32060	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
ef1144c7-d140-4cd1-b57d-a938a738f166	Environmental → Air → Unknown	EF 3.1	kg	2
986bca3b-6e21-4737-9ff4-8e90263a7ecf	Environmental → Ground → Agricultural	EF 3.1	kg	2
a6afa23e-330f-490c-8cac-b0f39e081194	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
2db2f31d-c8bc-41b3-a496-c7d19813f03d	Environmental → Ground → Unknown	EF 3.1	kg	2
993b6a2d-8147-44fb-a8ee-5eb99198683d	Environmental → Water → Long-term	EF 3.1	kg	0
4a894d6a-05b6-4984-948d-c8dcf1c932ec	Environmental → Water → Ocean	EF 3.1	kg	2
73dd2711-aef0-4282-a3c6-1be028d21a97	Environmental → Water → Surface water	EF 3.1	kg	2
ed9a8e82-32d8-449b-9a1d-f901c1970256	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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  ],
  "altLabel": [
    {
      "@value": "2-Chlorobenzotrichloride",
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      "@value": "Benzene, 1-chloro-2-(trichloromethyl)-",
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    {
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    {
      "@value": "o-Chlorobenzylidyne chloride",
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}

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1-chloro-2-(trichloromethyl)benzene

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Structure

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