2-tert-butyl-6-(5-chloro-2h-benzotriazol-2-yl)-4-methylphenol
fo-6d30de7543ec3cda
Identity
- Type
- Neutral molecule
- CAS
- 3896-11-5
- EC
- 223-445-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
38- 2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chloro-2H-benzotriazole
- 2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole
- 2-(2′-Hydroxy-3′-tert-butyl-5′-methylphenyl)-5-chloro-2H-benzotriazole
- 2-(2′-Hydroxy-3′-tert-butyl-5′-methylphenyl)-5-chlorobenzotriazole
- 2-(2′-Hydroxy-3′-tert-butyl-5′-methylphenyl)-5-chlorobenztriazole
- 2-(3-tert-Butyl-2-hydroxy-5-methylphenyl)-5-chloro-2H-benzo-v-triazole
- 2-(3-tert-Butyl-2-hydroxy-5-methylphenyl)-5-chloro-2H-benzotriazole
- 2-(3-tert-Butyl-2-hydroxy-5-methylphenyl)-5-chlorobenzotriazole
- 2-(3-tert-Butyl-5-methyl-2-hydroxyphenyl)-5-chlorobenzotriazole
- 2-(3′-tert-Butyl-2′-hydroxy-5′-methylphenyl)-5-chlorobenzotriazole
- 2-(3′-tert-Butyl-5′-methyl-2′-hydroxyphenyl)-5-chlorobenzotriazole
- 2-(3′-tert-Butyl-5′-methyl-butyl-2′hydroxyphenyl)-5-chlorobenzotriazole
- 2-(5-Chloro-2-benzotriazolyl)-6-tert-butyl-p-cresol
- 2-(5-Chloro-2H-benzotriazol-2-yl)-6-(1,1-dimethylethyl)-4-methylphenol
- 2-(5-Chloro-2H-benzotriazol-2-yl)-6-tert-butyl-4-methylphenol
- 2-(tert-Butyl)-6-(5-chloro-2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenol
- 2-[5-Chloro-2H-benzotriazol-2-yl]-4-methyl-6-(tert-butyl)phenol
- 2-tert-Butyl-6-(5-chloro-2-benzotriazolyl)-4-methylphenol
- 5-Chloro-2-(2-hydroxy-3-tert-butyl-5-methylphenyl)-2H-benzotriazole
- 5-Chloro-2-(3-tert-butyl-2-hydroxy-5-methylphenyl)benzotriazole
- 6-tert-Butyl-2-(5-chloro-2H-benzotriazol-2-yl)-4-methylphenol
- A-Light
- ADK Stab LA 36
- ADK Stab LA 36RG
- Benazol PBKh
- Bumetrizole
- CBT
- Cibatex LF
- Eversorb 73
- Kemisorb 73
- Lowilite 26
- Mark LA 36
- p-Cresol, 2-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)-
- Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-6-(1,1-dimethylethyl)-4-methyl-
- Riasorb UV 326
- Tinogard AS
- Tinuvin 326FF
- Tinuvin 326FL
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | OCWYEMOEOGEQAN-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C17H18ClN3O/c1-10-7-12(17(2,3)4)16(22)15(8-10)21-19-13-6-5-11(18)9-14(13)20-21/h5-9,22H,1-4H3 |
| IUPAC name chemrof:IUPAC_name | 2-tert-butyl-6-(5-chloro-2h-benzotriazol-2-yl)-4-methylphenol |
| Molecular formula chemrof:molecular_formula | C17H18ClN3O |
| Molecular mass chemrof:molecular_mass | 315.804 |
| Monoisotopic mass chemrof:monoisotopic_mass | 315.11384 |
| SMILES string chemrof:smiles_string | Cc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1 |
Known URLs
11Where 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=3896-11-5 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.021.315 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9036438 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB20255 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1880325 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7ZF18Q354W | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J8.273B | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D03174 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C74400 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/62531 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27269075 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| b5ec10de-f613-4b52-b967-a0d6c66d025b | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 645980ec-f98a-4b8f-8e29-faf16c8ebb82 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| d8ba45a3-da13-4115-8bcf-a3e0ad370f54 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 533e1936-6dc7-4089-988e-938361725b7c | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 1ac59a85-ac68-4842-9e35-3f05b6069946 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 51829db2-d144-473d-b911-9bf0a09317b8 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| c2f3cced-11ce-4d41-bff2-3cc999378ad6 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| ce09e690-0e3c-40cf-a425-a42793de4bac | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| f714027b-b4f3-47a0-ad89-229d1ed9f558 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 3628fe5e-cfcc-468f-aaad-08b3c4b65126 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 82df6ac8-65aa-4c63-be67-4b4babdeba4c | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| aeed03a4-433c-4f70-8cec-a9ee9a80c6a1 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 57fac726-248d-4f8e-849c-b0c9acb43061 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
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{
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{
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},
{
"@value": "Benazol PBKh",
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},
{
"@value": "Bumetrizole",
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},
{
"@value": "CBT",
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},
{
"@value": "Cibatex LF",
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},
{
"@value": "Eversorb 73",
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},
{
"@value": "Kemisorb 73",
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{
"@value": "Lowilite 26",
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},
{
"@value": "Mark LA 36",
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works