Consensus flow list

2-chloro-1-(4-fluorophenyl)ethanone

fo-7105dd25b1a1e693

Identity

Type
Neutral molecule
CAS
456-04-2
EC
207-256-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-chloro-1-(4-fluorophenyl)ethanone

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string UJZWJOQRSMOFMA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H6ClFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
IUPAC name chemrof:IUPAC_name 2-chloro-1-(4-fluorophenyl)ethanone
Molecular formula chemrof:molecular_formula C8H6ClFO
Molecular mass chemrof:molecular_mass 172.586
Monoisotopic mass chemrof:monoisotopic_mass 172.009121
SMILES string chemrof:smiles_string O=C(CCl)c1ccc(F)cc1

Known URLs

8

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=456-04-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.006.598 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID70196560 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL105037 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/AW8FP5M4P2 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J90.722G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/120248 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q69757950 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9db8625d-1e71-4063-b12a-84d029b0ddf1 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
70da1d65-7908-4404-8d11-85d3168a8aeb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2bd3c601-fcb8-4f74-89a1-b506e9955a4f Environmental → Air → Indoor EF 3.1 kg 2
fc625fe8-cda3-468e-9d38-1643beaa9003 Environmental → Air → Long-term EF 3.1 kg 0
dbe31f37-173c-4615-9637-a3692715c756 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
f224e1e6-dca4-4e05-89e5-b5ad777c4573 Environmental → Air → Unknown EF 3.1 kg 2
50a53571-4c94-4c24-b784-412a8059e180 Environmental → Ground → Agricultural EF 3.1 kg 2
fb97bd9f-5148-4950-9ac0-b6b42729336a Environmental → Ground → Non-agricultural EF 3.1 kg 2
7d6665be-1ca5-40de-89c4-9c35ea02deab Environmental → Ground → Unknown EF 3.1 kg 2
6bd7795a-68a0-442b-9d66-1e02e307d568 Environmental → Water → Long-term EF 3.1 kg 0
cee90ab3-7840-41cb-9dc4-ca8722d2e873 Environmental → Water → Ocean EF 3.1 kg 2
160183ff-89e4-4ff7-ab10-7f8354b77b1c Environmental → Water → Surface water EF 3.1 kg 2
08c79780-df53-4d6e-987d-230439d815f0 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
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