Consensus flow list

Identity

Type
Neutral molecule
CAS
98-87-3
EC
202-709-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
40 across every transformer

Structure

Structure diagram for Benzal Chloride

Alternative labels

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CAHQGWAXKLQREW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H
IUPAC name chemrof:IUPAC_name Benzal Chloride
Molecular formula chemrof:molecular_formula C7H6Cl2
Molecular mass chemrof:molecular_mass 161.031
Monoisotopic mass chemrof:monoisotopic_mass 159.984656, 159.98466
SMILES string chemrof:smiles_string ClC(Cl)c1ccccc1

Known URLs

17

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=98-87-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82273 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.463 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.045.307 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0101 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6025014 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB18243 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7915 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1412576 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/222447TR16 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.986A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19165 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19165 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7411 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1886 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q419420 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Benzal_chloride enrich_references.pubchem_identifier_url

Elementary flows

11
Flow Context Source Unit CFs
6ae61201-fa22-4e43-b55c-45c2403fb21e Environmental → Air → Aircraft cruise height EF 3.1 kg 0
75401b87-a49d-4804-b64b-93f17ff288fd Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
5b7bbb32-35b4-4761-b8a9-cd811a71488b Environmental → Air → Long-term EF 3.1 kg 0
114d2c30-5d94-4714-914c-bbc6a79f31bb Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
1cc1a6e4606fe42ce0df4424c35b904e317ec20f Environmental → Air → Unknown ecoinvent algorithm addition kg 0
fe1b8c71-5670-4dcf-9912-61206d2ecd84 Environmental → Water → Long-term EF 3.1 kg 0
d7b8b1a4-a93d-405a-9c18-c5c05069c43b Environmental → Water → Ocean EF 3.1 kg 0
dd8ee89fa3448416bc5ee76f88b26754f311daae Environmental → Water → River bafu algorithm addition kg 0
aa1ce5f3-f0ce-4d92-b5da-c6d8b20cbeaf Environmental → Water → Surface water EF 3.1 kg 0
480babc6504b56c8c90ce3128b3fe34ce7e28e9a Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
9f208021-691d-4a79-b549-9c91410332ae Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (40 changes)

Open the changes page

Full record

Flow object JSON
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}

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