Consensus flow list

Xylenesulphonic Acid

fo-296841b996534ca2

Identity

Type
Chemical salt
CAS
25321-41-9
EC
246-839-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Xylenesulphonic Acid

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HBNNHGMODQBYSH-UHFFFAOYSA-M, ZZXDRXVIRVJQBT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H6.2CH4.H2O3S/c1-2-4-6-5-3-1;;;1-4(2)3/h1-6H;2*1H4;(H2,1,2,3)/p-1, InChI=1S/C8H10O3S/c1-6-4-3-5-8(7(6)2)12(9,10)11/h3-5H,1-2H3,(H,9,10,11)
IUPAC name chemrof:IUPAC_name 2,3-dimethylbenzenesulfonic acid, 2,3-dimethylbesylic acid, benzene;hydrogen sulfite;methane, benzene;methane;bisulfite
Molecular formula chemrof:molecular_formula C8H10O3S, C8H15O3S-
SMILES string chemrof:smiles_string C.C.C1=CC=CC=C1.OS(=O)[O-], CC1=C(C(=CC=C1)S(=O)(=O)O)C

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=25241-16-1 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=25321-41-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.042.567 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50881225 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3305892 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Y39HBC4LEH enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.071.885F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/172623 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/53400739 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81981659 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b52f8fcc-2b6b-46a3-962b-4af535969767 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
b05e5390-8668-412f-8cdf-959ce68e0e23 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
cf667578-ae01-4584-8e53-44331772460d Environmental → Air → Indoor EF 3.1 kg 4
d39cd699-fdfd-424d-b925-d0f5909f9bc6 Environmental → Air → Long-term EF 3.1 kg 0
fbd9601f-5b18-4839-a16f-6f7aeb6244dd Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
e41e0960-88a9-42e0-a9ac-ddb832dbc09c Environmental → Air → Unknown EF 3.1 kg 4
19eeffd4-ead2-4bf5-979f-a9d39db96215 Environmental → Ground → Agricultural EF 3.1 kg 4
701acf02-b404-4143-a2a3-313a65239218 Environmental → Ground → Non-agricultural EF 3.1 kg 4
9de588e1-1a45-42d8-9126-5d5a93bd1ea1 Environmental → Ground → Unknown EF 3.1 kg 4
37e41c93-3fbc-46af-a106-8c9552f449aa Environmental → Water → Long-term EF 3.1 kg 0
dba81160-7489-456b-b9f0-48f547d675bf Environmental → Water → Ocean EF 3.1 kg 4
c27d9780-5f95-4bab-a375-70297358b925 Environmental → Water → Surface water EF 3.1 kg 4
a419d5ad-afba-4d88-8566-5ae33199de32 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
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    },
    {
      "@value": "Dimethylbenzenesulfonic acid",
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