Consensus flow list

Identity

Type
Neutral molecule
CAS
98-09-9
EC
202-636-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Benzenesulphonyl Chloride

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CSKNSYBAZOQPLR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H5ClO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
IUPAC name chemrof:IUPAC_name Benzenesulphonyl Chloride
Molecular formula chemrof:molecular_formula C6H5ClO2S
Molecular mass chemrof:molecular_mass 176.624
Monoisotopic mass chemrof:monoisotopic_mass 175.969878
SMILES string chemrof:smiles_string O=S(=O)(Cl)c1ccccc1

Known URLs

12

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=98-09-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.397 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1026619 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2864 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1479161 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/OI9V0QJV9N enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2904.10.08.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.983G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7369 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2225 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q2660596 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Benzenesulfonyl_chloride enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
71d86749-c829-4017-b4b3-f81177cafc30 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
2376c049-a85f-45b5-beef-8d49cce4c6bf Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
67a16493-fa92-4eb6-bc5d-db5e826ff342 Environmental → Air → Indoor EF 3.1 kg 2
8011a343-efcc-4145-8524-cfd7b0c1626f Environmental → Air → Long-term EF 3.1 kg 0
8b52f4f9-fe2a-415e-8b73-09ab84a1948b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4b79f65c-63fc-467a-a574-b5c11db43457 Environmental → Air → Unknown EF 3.1 kg 2
3889f7a3-43f3-401c-883e-e4211cc33b6b Environmental → Ground → Agricultural EF 3.1 kg 2
e2d543b6-7a87-4205-bde4-7bb2bd4a1b2d Environmental → Ground → Non-agricultural EF 3.1 kg 2
4c552fa3-be1c-4338-9ea4-57cf3c2d03c6 Environmental → Ground → Unknown EF 3.1 kg 2
3ef4d25a-2052-49ad-aea4-4e13aef24751 Environmental → Water → Long-term EF 3.1 kg 0
1fc382fb-37c7-4706-a278-f606ed2eb5e0 Environmental → Water → Ocean EF 3.1 kg 2
df7d2101-fbb1-4f38-a17d-c94f0858c6e0 Environmental → Water → Surface water EF 3.1 kg 2
b7be881a-6ed3-4114-baf6-a33fb1d86c60 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
{
  "flow_object_id": "fo-7710513e455e19ef",
  "prefLabel": [
    {
      "@value": "Benzenesulphonyl Chloride",
      "@language": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Benzene sulfochloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene-1-sulfonyl chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Benzenesulfonic chloride",
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    },
    {
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    },
    {
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