Consensus flow list

2-(4-chlorobenzoyl)benzoic Acid

fo-fcaabe0cec2528c0

Identity

Type
Neutral molecule
CAS
85-56-3
EC
201-615-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2-(4-chlorobenzoyl)benzoic Acid

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YWECCEXWKFHHQJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H9ClO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)
IUPAC name chemrof:IUPAC_name 2-(4-chlorobenzoyl)benzoic Acid
Molecular formula chemrof:molecular_formula C14H9ClO3
Molecular mass chemrof:molecular_mass 260.676
Monoisotopic mass chemrof:monoisotopic_mass 260.024022
SMILES string chemrof:smiles_string O=C(O)c1ccccc1C(=O)c1ccc(Cl)cc1

Known URLs

10

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=85-56-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.469 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1058927 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7825 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL81936 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3U7W4YOY3R enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J39.686I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/66564 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=209091 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27258040 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
dc131ce5-98c7-4b87-a4b2-634f59837b15 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4e44753d-c91b-44d7-b025-4b8c328e2761 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2356dee8-4c98-41b6-8caf-62153ef9d4dd Environmental → Air → Indoor EF 3.1 kg 2
53fea170-cd37-44a7-8ab3-cfe8996e5a91 Environmental → Air → Long-term EF 3.1 kg 0
fa5b90b0-f63f-4b0f-a963-d77c4d8ee356 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
7062a697-8a74-47fe-9e06-f2000856699c Environmental → Air → Unknown EF 3.1 kg 2
7d6daf25-86de-4975-8301-61b8bd1a0192 Environmental → Ground → Agricultural EF 3.1 kg 2
de310aaf-ea53-4f7d-9596-8ba7bba54e93 Environmental → Ground → Non-agricultural EF 3.1 kg 2
39b598bc-2b22-49b6-9b58-8d8d79ee8d4e Environmental → Ground → Unknown EF 3.1 kg 2
47ae3eea-1a32-4c61-8284-fbca9832152d Environmental → Water → Long-term EF 3.1 kg 0
ab45782f-a03e-4522-adf2-846fd74eb04b Environmental → Water → Ocean EF 3.1 kg 2
dd972923-8adb-432f-9a0c-13be511a7f89 Environmental → Water → Surface water EF 3.1 kg 2
e6b4bc5b-bbb6-4790-b9de-f322f5577e20 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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  "altLabel": [
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      "@value": "2-(4′-Chlorobenzoyl)benzoic acid",
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    },
    {
      "@value": "2-(p-Chlorobenzoyl)benzoic acid",
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    {
      "@value": "4-Chlorobenzophenone-2′-carboxylic acid",
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      "@value": "Benzoic acid, 2-(4-chlorobenzoyl)-",
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