Consensus flow list

4(or5)-methyl-1h-1,2,3-benzotriazole

fo-b63592730963795e

Identity

Type
Molecular complex
CAS
29385-43-1
EC
249-596-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 4(or5)-methyl-1h-1,2,3-benzotriazole

This substance carries 3 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

17

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CMGDVUCDZOBDNL-UHFFFAOYSA-N, LBOQZDCAYYCJBU-UHFFFAOYSA-N, ZPCIKQLLQORQCV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/2C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6;1-5-3-2-4-6-7(5)9-10-8-6/h2*2-4H,1H3,(H,8,9,10), InChI=1S/C7H7N3/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3,(H,8,9,10), InChI=1S/C9H9N3/c1-7-2-4-8(5-3-7)9-6-10-12-11-9/h2-6H,1H3,(H,10,11,12)
IUPAC name chemrof:IUPAC_name 4-(4-methylphenyl)-2H-1,2,3-triazole, 4-(4-methylphenyl)-2H-triazole, 4-(p-tolyl)-2H-triazole, 4-methyl-2H-benzotriazole, 4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole
Molecular formula chemrof:molecular_formula C14H14N6, C7H7N3, C9H9N3
SMILES string chemrof:smiles_string CC1=CC2=NNN=C2C=C1.CC1=CC=CC2=NNN=C12, CC1=CC=C(C=C1)C2=NNN=C2, CC1=CC=CC2=NNN=C12

Known URLs

18

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=29385-43-1 enrich_references.consensus_cas_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:228819 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.045.073 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.045.368 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.438.392 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50274037 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60344093 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL193610 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184205 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QKK8999IZA enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J145.533H enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.222.459J enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J57.991B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/122499 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/44630380 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/594397 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27287307 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q82115753 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f0c62b11-ff79-46a4-8e58-dc9323a288c2 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
bdd23e50-590c-438e-bf5d-79f553aa5255 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
afae3be2-3d83-4087-add7-d712d236dea6 Environmental → Air → Indoor EF 3.1 kg 4
6a40b2df-8471-4aa9-83d5-165586f324b6 Environmental → Air → Long-term EF 3.1 kg 0
625e1ece-282a-46bb-90f1-72d2cc9689d8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
ca0fa141-6aa0-4bc5-84f1-e89c8948510d Environmental → Air → Unknown EF 3.1 kg 4
7b482b15-f3ff-4d5f-a6fc-ef648a636e16 Environmental → Ground → Agricultural EF 3.1 kg 4
2a438bb2-c512-4e02-8ec3-b06ab72e4bdf Environmental → Ground → Non-agricultural EF 3.1 kg 4
c4581252-d42f-499c-ab9c-7d54cbd85eb0 Environmental → Ground → Unknown EF 3.1 kg 4
36641f52-0d7e-4742-a5f2-7e2e2da97fda Environmental → Water → Long-term EF 3.1 kg 0
d64d4bd2-773d-4366-ba76-bd9beafe0cc9 Environmental → Water → Ocean EF 3.1 kg 4
995ab030-ef2f-4789-96c9-8cd00bc4d9fe Environmental → Water → Surface water EF 3.1 kg 4
1b9bd16e-034d-4669-bacc-9827f6fea1d2 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
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