Name: 2-(2'-Hydroxy-3',5'-di-tert-butylphenyl)-5-chlorobenzotriazole
SKU: 3864-99-1

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Basic Information

Molecular Structure:
CAS No.:	3864-99-1
Name:	2-(2'-Hydroxy-3',5'-di-tert-butylphenyl)-5-chlorobenzotriazole
Article Data:	39

Formula:	C₂₀H₂₄ClN₃O
Molecular Weight:	357.883
Synonyms:	Phenol,2,4-di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)- (7CI,8CI);2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol;2-(2-Hydroxy-3,5-di-tert-butylphenyl)-5-chloro-2H-benzotriazole;2-(2'-Hydroxy-3',5'-di-tert-butylphenyl)-5-chlorobenzotriazole;2-(3,5-Di-tert-butyl-2-hydroxyphenyl)-5-chloro-2H-benzotriazole;2-(3',5'-Di-tert-butyl-2'-hydroxyphenyl)-5-chlorobenzotriazole;5-Chloro-2-(2-hydroxy-3,5-di-tert-butylphenyl)-2H-benzotriazole;5-Chloro-2-(3,5-di-tert-butyl-2-hydroxyphenyl)-2H-benzotriazole;5-Chloro-2-(3',5'-di-tert-butyl-2'-hydroxyphenyl)benzotriazole;UV 2;
EINECS:	223-383-8
Density:	1.18 g/cm³
Melting Point:	150-153 °C(lit.)
Boiling Point:	469.2 °C at 760 mmHg
Flash Point:	237.6 °C
Appearance:	Slightly yellowish powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
Transport Information:	UN 3077
PSA:	50.94000
LogP:	5.37450

Synthetic route

: 52184-29-9
2-nitro-4-chloro-2'-hydroxy-3',5'-di-tert-butylazobenzene

: 3864-99-1
2-(5'-chloro-2'H-benzotriazol-2'-yl)-4,6-di-tert-butylphenol

Conditions

Conditions	Yield
With hydrogen; potassium hydroxide; sodium hydroxide In 1,4-dioxane; water at 100℃; under 750.075 Torr; Autoclave;	97.95%
With borane-ammonia complex In toluene at 50℃; for 5h;	95.6%
With sodium hydroxide; thiourea dioxide In ethanol at 85 - 90℃; for 1h;	80%

: 84755-45-3
2-(6-chloro-1-oxido-2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)phenol

: 3864-99-1
2-(5'-chloro-2'H-benzotriazol-2'-yl)-4,6-di-tert-butylphenol

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran; water electrolysis, Pt cathode and anode;	97%
With potassium hydroxide; lithium perchlorate In tetrahydrofuran; water at 20℃; Reduction; Electrolysis;	97%
With sodium hydroxide; bakers' yeast In ethanol 1.) r.t., 30 min, 2.) 80-85 deg C, 24 h;	89%

: 52184-29-9
2,4-Di-tert-butyl-6-(4-chloro-2-nitro-phenylazo)-phenol

A: 84755-45-3
2-(6-chloro-1-oxido-2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)phenol

B: 3864-99-1
2-(5'-chloro-2'H-benzotriazol-2'-yl)-4,6-di-tert-butylphenol

Conditions

Conditions	Yield
With sodium hydroxide; thiourea S,S-dioxide In water; isopropyl alcohol for 3h; Heating;	A 0.3% B 95%
With sodium hydroxide; Beakers' yeast In ethanol at 85℃; for 24h; Product distribution; various amounts of bakers' yeast and NaOH; various times; pH; reagents;	A 29% B 65%

: C20H26ClN3O2

: 3864-99-1
2-(5'-chloro-2'H-benzotriazol-2'-yl)-4,6-di-tert-butylphenol

Conditions

Conditions	Yield
With sodium phosphite; hydrogen; dibutylamine at 60℃; under 7500.75 Torr; for 12h; Reagent/catalyst; Temperature; Pressure; Autoclave;	94.2%

: C20H24ClN3O2

: 3864-99-1
2-(5'-chloro-2'H-benzotriazol-2'-yl)-4,6-di-tert-butylphenol

Conditions

Conditions	Yield
With platinum on activated charcoal; hydrogen at 50 - 75℃; under 3750.38 - 6000.6 Torr; Autoclave;	92.4%

: 2-Nitro-4-chloro-2'-hydroxy-3',5'-di-tert-butyl-azobenzene

: 3864-99-1
2-(5'-chloro-2'H-benzotriazol-2'-yl)-4,6-di-tert-butylphenol

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran; water electrolysis, Pt cathode and anode;	92%
With sodium hydroxide; zinc In water at 90℃; for 1h;	90%
	75%
With samarium diiodide In tetrahydrofuran for 2.7h; Ambient temperature;	84 % Spectr.
Multi-step reaction with 2 steps 1: 0.4 M LiClO4 / methanol; CH2Cl2 / electrolysis, Pt cathode and anode using a devised H cell 2: 97 percent / 0.2 M NaOH / tetrahydrofuran; H2O / electrolysis, Pt cathode and anode View Scheme

: 52184-29-9
2,4-Di-tert-butyl-6-(4-chloro-2-nitro-phenylazo)-phenol

: 3864-99-1
2-(5'-chloro-2'H-benzotriazol-2'-yl)-4,6-di-tert-butylphenol

Conditions

Conditions	Yield
With sodium hydroxide; bakers' yeast In ethanol 1.) r.t., 30 min, 2.) 80-85 deg C, 40 h;	85%
With sodium hydroxide In isopropyl alcohol at 85℃; for 24h; Reduction; Cyclization; Irradiation;	83%
Multi-step reaction with 2 steps 1: 29 percent / Beakers' yeast, aq. NaOH / ethanol / 24 h / 85 °C / various amounts of bakers' yeast and NaOH; various times; pH; reagents 2: 89 percent / aq. NaOH, bakers' yeast / ethanol / 1.) r.t., 30 min, 2.) 80-85 deg C, 24 h View Scheme
Multi-step reaction with 2 steps 1: 85 percent / aq. NaOH, bakers' yeast / ethanol / 1.) r.t., 30 min, 2.) 80-85 deg C, 4 h 2: 89 percent / aq. NaOH, bakers' yeast / ethanol / 1.) r.t., 30 min, 2.) 80-85 deg C, 24 h View Scheme

: C20H24Cl2N2O

: 3864-99-1
2-(5'-chloro-2'H-benzotriazol-2'-yl)-4,6-di-tert-butylphenol

Conditions

Conditions	Yield
With sodium azide; triethylamine; copper(I) bromide In DMF (N,N-dimethyl-formamide) at 80℃; for 4h;	84%

: 78-92-2, 15892-23-6
iso-butanol

: 94102-13-3
2-(5-chloro-1-oxido-2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)phenol

: 3864-99-1
2-(5'-chloro-2'H-benzotriazol-2'-yl)-4,6-di-tert-butylphenol

Conditions

Conditions	Yield
With tributyl-amine; aluminum nickel In water; hydrogen; toluene	79.2%

: 1,5-diazabicyclo [5.4.0] undecene

: 78-92-2, 15892-23-6
iso-butanol

: 94102-13-3
2-(5-chloro-1-oxido-2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)phenol

: 3864-99-1
2-(5'-chloro-2'H-benzotriazol-2'-yl)-4,6-di-tert-butylphenol

Conditions

Conditions	Yield
With hydrogen; aluminum nickel In nitrogen; toluene	79%

...Expand

Raw Materials

94102-13-3

52184-29-9

96-76-4

89-63-4

78-92-2

82-05-3

75-07-0

Downstream Products

3846-71-7

Total:149 Page 1 of 4 1 2 3 4 Next>>

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Chemistry

Molecular Structure of Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)- (CAS NO.3864-99-1):

IUPAC Name: 2,4-Ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol
Molecular Formula: C₂₀H₂₄ClN₃O
Molecular Weight: 357.88 g/mol
Canonical SMILES: Oc1c(cc(cc1n1nc2c(cc(cc2)Cl)n1)C(C)(C)C)C(C)(C)C
InChI: InChI=1/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
EINECS: 223-383-8
Product Categories: Organics; Polymer Additives; Polymer Science; Stabilizers
Surface Tension: 39.4 dyne/cm
Density: 1.18 g/cm³
Flash Point: 237.6 °C
Enthalpy of Vaporization: 75.95 kJ/mol
Boiling Point: 469.2 °C at 760 mmHg
Melting Point: 150-153 °C(lit.)
Vapour Pressure: 2E-09 mmHg at 25 °C

Safety Profile

Hazard Codes of Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)- (CAS NO.3864-99-1): Irritant Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
RIDADR: 3077
WGK Germany: 2
RTECS: 3425000

Specification

Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)- (CAS NO.3864-99-1), its Synonyms are 2-(3',5'-Di-tert-butyl-2'-hydroxyphenyl)-5-chloro-2H-benzotriazole ; 2-(5-Chloro-2H-benzotriazol-2-yl)-4,6-di-tert-butylphenol ; 2,4-Di-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol ; UV-327 .

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