2,4-Di-tert-butyl-6-(5-chlorbenzotriazol-2-yl)phenol

2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol

HCID 77470CAS 3864-99-1

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Grundinformationen

Standard-SMILES: CC(C)(C)c1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1
InChIKey: UWSMKYBKUPAEJQ-UHFFFAOYSA-N
Summenformel: C20H24ClN3O
Durchschnittliche Molmasse: 357,9 g/mol
Monoisotopische Masse: 357,16079007

Überblick

5-Chloro-2-(3,5-di-tert-butyl-2-hydroxyphenyl)-2H-benzotriazole is a member of triazoles.

Namen und Bezeichner

Bevorzugter Name: 2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol
IUPAC: 2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol
Lokaler Name: 2,4-Di-tert-butyl-6-(5-chlorbenzotriazol-2-yl)phenol
Englischer Name: 2-(2'-Hydroxy-3',5'-di-tert-butylphenyl)-5-chlorobenzotriazole
Summenformel: C20H24ClN3O
Molmasse: 357.88

Namen und Synonyme

3864-99-12,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenolUV-327Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)-17TJE602RXEINECS 223-383-82,4-Di-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenolANTIOXIDANT 3272-(5-Chloro-2H-benzotriazol-2-yl)-4,6-di-tert-butylphenol2-(3',5'-Di-tert-butyl-2'-hydroxyphenyl)-5-chloro-2H-benzotriazoleDTXSID4038893LA-34

Weitere Namen anzeigen

UV ABSORBER 3272,4-di-tert-butyl-6-(5-chloro-2H-benzo-triazol-2-2,4-DI-TERT-BUTYL-6-(5-CHLOROBENZOTRIAZOL-2-YL) PHENOL2-(3,5-DI-TERT-BUTYL-2-HYDROXYPHENYL)-5-CHLORO-2H-BENZOTRIAZOLE2-(5-Chloro-2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)-phenolDBHCBditBu-ClBZT

Phenol, 2,4-di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)-RefChem:443144DTXCID20188932-(5-chloro-benzotriazol-2-yl)-4,6-di-(tert-butyl)phenol2,4-Di-tert-butyl-6-(5-chloro-2H-benzo[d][1,2,3]triazol-2-yl)phenol2-(3,5-Di-tert-butyl-2-hydroxyphenyl)-5-chlorobenzotriazoleTinuvin 3272,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol

Datenbank-Bezeichner

CAS: 3864-99-1
PubChem CID: 77470
DTXSID: DTXSID4038893
ChEBI: CHEBI:169475
UNII: 17TJE602RX
EC Number: 223-383-8
Nikkaji: J2.200D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 6,9
Polarare Oberfläche (TPSA): 50,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 25
Formalladung: 0
Komplexität: 473

Experimentelle und physikochemische Eigenschaften

Endocrine DisruptorsPotential endocrine disrupting compound

Melting Point153 - 154 °C

Food Contact Substances · 2 Einträge

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

Physical DescriptionSolid

Physikochemische Eigenschaften

Schmelzpunkt: 150 · 150-153 °C(lit.)
Siedepunkt: 469.2 · 469.2±55.0 °C(Predicted)
Dichte: 1 · 1,26 g/cm3
Flammpunkt: 234 °C · 234°C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Ethyl Acetate (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 9.23 · 9.23±0.48(Predicted)
Farbe: Off-White to Pale Yellow
Stabilität: Light Sensitive
InChI: InChI=1S/C20H24ClN3O/c1-19(2,3)12-9-14(20(4,5)6)18(25)17(10-12)24-22-15-8-7-13(21)11-16(15)23-24/h7-11,25H,1-6H3
InChIKey: UWSMKYBKUPAEJQ-UHFFFAOYSA-N
SMILES: C1(O)=C(C(C)(C)C)C=C(C(C)(C)C)C=C1N1N=C2C=C(Cl)C=CC2=N1
CAS Datenbank: 3864 · 3864-99-1(CAS DataBase Reference)
EPA chemische Informationen: 2 · 2-(5-Chloro-2H-benzotriazol-2-yl)-4,6-di-tert-butylphenol (3864-99-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 3.4% (21 of 625) of reports.

Warning

H373 (87%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, P273, P319, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 625 reports by companies from 25 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Not Classified

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)-

Hazard Traits - Bioaccumulation; Environmental Persistence

Substance: 2,4-di-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol (UV-327)

Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Phenolic benzotriazoles: Environment tier II assessment

Hazard Classes and CategoriesSTOT RE 2 (87%)