Methyl 4-chlorobenzoate

4-(Methoxycarbonyl)chlorobenzene
4-Carbomethoxyphenyl chloride
4-Chlorobenzoic acid methyl ester
4-Chlorophenylcarboxylic acid methyl ester
5-Chloro-2-benzoic acid methyl ester
Benzoic acid, 4-chloro-, methyl ester
Benzoic acid, p-chloro-, methyl ester
Methyl p-chlorobenzoate
p-Chlorobenzoic acid methyl ester

Property	Value
InChI2D key string chemrof:inchi2d_key_string	LXNFVVDCCWUUKC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
IUPAC name chemrof:IUPAC_name	Methyl 4-chlorobenzoate
Molecular formula chemrof:molecular_formula	C8H7ClO2
Molecular mass chemrof:molecular_mass	170.595
Monoisotopic mass chemrof:monoisotopic_mass	170.013457
SMILES string chemrof:smiles_string	COC(=O)c1ccc(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=1126-46-1	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.013.110	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID5022148	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8366	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/M0U80J80VA	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J47.050C	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/14307	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27283319	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
d312514f-7942-4169-b606-c62aed6ecaef	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
42e028d3-f11b-49a4-8090-8658f1e195bf	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
322de648-22db-492c-8f5b-583251749b7b	Environmental → Air → Indoor	EF 3.1	kg	2
4461b3ea-92a5-4aa0-b41a-477ca6fa2cdd	Environmental → Air → Long-term	EF 3.1	kg	0
97b1ef12-4419-4241-a673-9136d6fcc149	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
7a2b43ec-4b6d-49c9-8520-1b5d3897dc3d	Environmental → Air → Unknown	EF 3.1	kg	2
49792eef-829f-4fc3-822c-950fe6aa9d10	Environmental → Ground → Agricultural	EF 3.1	kg	2
57b77861-6377-45f9-80bc-2acd0208ea7f	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
21f68cc3-06c1-4714-bb25-8ce1515bb92b	Environmental → Ground → Unknown	EF 3.1	kg	2
f2434941-a9b8-4b30-91d6-40f4a81395db	Environmental → Water → Long-term	EF 3.1	kg	0
340aefd5-b1be-4668-9533-555653a56157	Environmental → Water → Ocean	EF 3.1	kg	2
f7351561-69ef-4c91-99e8-5ea9976fd008	Environmental → Water → Surface water	EF 3.1	kg	2
4d8fb6bf-651e-4214-b104-1d09d172d5cf	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

{
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  "altLabel": [
    {
      "@value": "4-(Methoxycarbonyl)chlorobenzene",
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}

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Methyl 4-chlorobenzoate

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Structure

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