Consensus flow list

2-chloro-3-methyl-4-(methylsulfonyl) Benzoic Acid

fo-f4a6aef12e8c0fd1

Identity

Type
Neutral molecule
CAS
106904-09-0
EC
600-786-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-chloro-3-methyl-4-(methylsulfonyl) Benzoic Acid

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string RRFGGUXLGOVPOP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H9ClO4S/c1-5-7(15(2,13)14)4-3-6(8(5)10)9(11)12/h3-4H,1-2H3,(H,11,12)
IUPAC name chemrof:IUPAC_name 2-chloro-3-methyl-4-(methylsulfonyl) Benzoic Acid
Molecular formula chemrof:molecular_formula C9H9ClO4S
Molecular mass chemrof:molecular_mass 248.687
Monoisotopic mass chemrof:monoisotopic_mass 247.991007
SMILES string chemrof:smiles_string Cc1c(S(C)(=O)=O)ccc(C(=O)O)c1Cl

Known URLs

5

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=106904-09-0 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.109.138 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID70558068 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/14254476 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72454325 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4d8a3345-51fd-44ac-87e0-59bc8d3b0fdc Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d150092a-7ba0-4677-8e17-0e972fd2d1b5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d93dec20-809a-4105-a3d5-02d2f015d1df Environmental → Air → Indoor EF 3.1 kg 2
450b075f-1333-4a65-bbb4-fc033e05ab63 Environmental → Air → Long-term EF 3.1 kg 0
5e4aeff2-9d2d-423f-bf49-6eee6a5960ca Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
67d73317-2e46-4668-b759-1b0c820cb505 Environmental → Air → Unknown EF 3.1 kg 2
fee45c34-4e2f-4b7a-b1b7-a494a9e11863 Environmental → Ground → Agricultural EF 3.1 kg 2
a0848b9e-6cf9-4f5e-86b0-bcfa58a984b3 Environmental → Ground → Non-agricultural EF 3.1 kg 2
e6bb752e-ff92-46f3-b204-8c7bb7ba3b08 Environmental → Ground → Unknown EF 3.1 kg 2
8517a7a1-3944-4b54-946f-f4762ae0e370 Environmental → Water → Long-term EF 3.1 kg 0
1f68d76d-5591-47df-be32-37f26eb31431 Environmental → Water → Ocean EF 3.1 kg 2
58f7073c-ac55-4f42-bd07-14b686eb9a67 Environmental → Water → Surface water EF 3.1 kg 2
092121fc-20ba-4be2-8e4e-f827f47f3c1b 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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