Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1-dimethylethyl)-

HCID 76605

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Basic information

CAS: 3147-76-0
Standard SMILES: CC(C)(C)c1ccc(O)c(-n2nc3ccccc3n2)c1
InChIKey: WXHVQMGINBSVAY-UHFFFAOYSA-N
Molecular formula: C16H17N3O
Average molar mass: 267.33 g/mol
Monoisotopic mass: 267.13716216

Names & identifiers

Preferred name: Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1-dimethylethyl)-
IUPAC: 2-(benzotriazol-2-yl)-4-tert-butylphenol
English name: 2-(5-TERT-BUTYL-2-HYDROXYPHENYL)BENZOTRIAZOLE
Molecular formula: C16H17N3O
Molecular weight: 267.33

Names & synonyms

3147-76-02-(2H-Benzotriazol-2-yl)-4-tert-butylphenolEINECS 221-574-0Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1-dimethylethyl)-DTXSID70628712-(2H-Benzotriazol-2-yl)-4-(1,1-dimethylethyl)phenolRefChem:860796DTXCID6038372221-574-02-(5-tert-Butyl-2-hydroxyphenyl)benzotriazole2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-(tert-butyl)phenol2-(benzotriazol-2-yl)-4-tert-butylphenol

Show more names

2-(benzotriazol-2-yl)-4-tert-butyl-phenol2-(2H-Benzotriazole-2-yl)-4-tert-butylphenol4-tert-Butyl-2-(2H-benzotriazole-2-yl)phenol2-(2-Hydroxy-5-tert-butylphenyl)2H-benzotriazole2-(5-tert-Butyl-2-hydroxyphenyl)benzotriazole>2-(2-Hydroxy-5-tert-butylphenyl)-2H-benzotriazole

MFCD038447952-(2-HYDROXY-5-TERT-BUTYLPHENYL)BENZOTRIAZOLE2-(2H-1,2,3-benzotriazol-2-yl)-4-tert-butylphenolUV-PS2-benzotriazol-2-yl-4-tert-butyl-phenolSCHEMBL78159153613-75-32-(2-hydroxy-5-tert-butylphenyl)-2H-benzotriazole

Database identifiers

CAS: 3147-76-0
PubChem CID: 76605
DTXSID: DTXSID7062871
EC Number: 221-574-0
Nikkaji: J58.000G

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 50.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 327

Physicochemical properties

Melting point: 97 °C · 97°C
Boiling point: 438.1 · 438.1±55.0 °C(Predicted)
Density: 1.18 · 1.18±0.1 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 8.07 · 8.07±0.43(Predicted)
color: White to Off-White
CAS DataBase Reference: 3147 · 3147-76-0
EPA Substance Registry System: 2 · Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1-dimethylethyl)- (3147-76-0)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
TSCA: TSCA listed
HS Code: 2933.99 · 2933.99.8210
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Chemical: Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1-dimethylethyl)-

Status: Cease Manufacture Update: 05-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/25544

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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

tsca: TSCA listed
hs_code: 2933.99.8210
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H315-H319
REACH Registrations: Inactive
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPhenol, 2-(2H-benzotriazol-2-yl)-4-(1,1-dimethylethyl)-: ACTIVE

Applications

Uses2-(5-tert-Butyl-2-hydroxyphenyl)benzotriazole is a chemical reagent used in the synthesis of UV stabilizers in environmental waters.Used in the detection of UV light filters in sediment and sewage.