Consensus flow list

Identity

Type
Chemical salt
CAS
65212-77-3
EC
265-634-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Calcium 4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KJAXOZTWNHRZQG-UHFFFAOYSA-L, RWRFRSZHRFHQEO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H12Cl2N4O7S2.Ca/c1-8-15(20-19-13-6-11(17)12(18)7-14(13)31(27,28)29)16(23)22(21-8)9-3-2-4-10(5-9)30(24,25)26;/h2-7,15H,1H3,(H,24,25,26)(H,27,28,29);/q;+2/p-2
IUPAC name chemrof:IUPAC_name Calcium 4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate
Molecular formula chemrof:molecular_formula C16H10CaCl2N4O7S2, C16H12CaCl2N4O7S2
SMILES string chemrof:smiles_string CC1=NN(c2cccc(S(=O)(=O)[O-])c2)C(=O)C1N=Nc1cc(Cl)c(Cl)cc1S(=O)(=O)[O-].[Ca+2]

Known URLs

2

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=65212-77-3 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/129894320 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
094bd609-601d-47e2-abc4-c2d2b3a49422 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
19b9a3ef-9003-47aa-9791-654a26996a1f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
132e2ee8-dc63-4485-b0ae-ba6573976e89 Environmental → Air → Indoor EF 3.1 kg 4
e46a3209-48d2-40cb-bfc3-a2256c9a6b1e Environmental → Air → Long-term EF 3.1 kg 0
f6b03e6a-ba44-4523-a92a-18ba76867cb4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
75374100-a3ab-46fd-bafb-b0d4b0bec375 Environmental → Air → Unknown EF 3.1 kg 4
14ea44f2-2bce-4528-a416-ce767a61339d Environmental → Ground → Agricultural EF 3.1 kg 4
a06a82fa-7a3d-4521-8aca-c6e9d8a1351b Environmental → Ground → Non-agricultural EF 3.1 kg 4
d66ac656-0014-4147-b176-d9f23d73d59d Environmental → Ground → Unknown EF 3.1 kg 4
2afd0226-5c5e-4faa-9e29-13acbb43e910 Environmental → Water → Long-term EF 3.1 kg 0
5b0f8a0b-b5bc-4a25-8bd0-7e3a00c2ff1c Environmental → Water → Ocean EF 3.1 kg 4
67878943-064c-485c-9ae5-8ee053c7bed6 Environmental → Water → Surface water EF 3.1 kg 4
fc07d7c7-4180-4c7e-8a8f-b20448e3f21d Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
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