CAS No.3896-11-5,Bumetrizole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3896-11-5
Name:	Bumetrizole
Article Data:	27
Cas Database

Formula:	C₁₇H₁₈ClN₃O
Molecular Weight:	315.802
Synonyms:	p-Cresol,2-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)- (7CI,8CI);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-chlorobenzotriazole;2-(3-tert-Butyl-2-hydroxy-5-methylphenyl)-5-chloro-2H-benzo-v-triazole;2-(3-tert-Butyl-2-hydroxy-5-methylphenyl)-5-chlorobenzotriazole;2-(3'-tert-Butyl-2'-hydroxy-5'-methylphenyl)-5-chlorobenzotriazole;2-(5-Chloro-2H-benzotriazol-2-yl)-6-(1,1-dimethylethyl)-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;A-Light;ADKStab LA 36;Cibatex LF;Phenol,2-(5-chloro-2H-benzotriazol-2-yl)-6-(1,1-dimethylethyl)-4-methyl-;
EINECS:	223-445-4
Density:	1.26 g/cm³
Melting Point:	144-147 °C(lit.)
Boiling Point:	460.4 °C at 760 mmHg
Flash Point:	232.3 °C
Solubility:	N/A
Appearance:	powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
Transport Information:	N/A
PSA:	50.94000
LogP:	4.38540

Synthetic route

: 22617-04-5
2-<(4-Chloro-2-nitrophenyl)azo>-6-(1,1-dimethylethyl)-4-methylphenol

A: 56750-11-9
2-tert-Butyl-6-(6-chloro-1-oxy-benzotriazol-2-yl)-4-methyl-phenol

B: 3896-11-5
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2H-5-chlorobenzotriazole

Conditions

Conditions	Yield
With sodium hydroxide; thiourea S,S-dioxide In water; isopropyl alcohol for 3h; Heating;	A 0.3% B 98%

: C17H18ClN3O2

: 3896-11-5
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2H-5-chlorobenzotriazole

Conditions

Conditions	Yield
In isopropyl alcohol at 80 - 82℃; for 4h;	97.8%

: 22617-04-5
2-nitro-4-chloro-2'-hydroxy-3'-tert-butyl-5'-methylazobenzene

: 3896-11-5
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2H-5-chlorobenzotriazole

Conditions

Conditions	Yield
With borane-ammonia complex In toluene at 50℃; for 5h;	97.4%
Multi-step reaction with 2 steps 1: 77 percent / glucose, 2N NaOH / ethanol / 1 h / Heating 2: 84 percent / Zn, 2N NaOH / ethanol / 1 h / Ambient temperature View Scheme
Multi-step reaction with 2 steps 1: sodium hydroxide; hydrazine hydrate / 5,5-dimethyl-1,3-cyclohexadiene; acetone 2: hydrogen; platinum on activated charcoal / 50 - 75 °C / 3750.38 - 6000.6 Torr / Autoclave View Scheme
With hydrazine hydrate; sodium hydroxide In toluene at 60℃; for 8h; Temperature;
Multi-step reaction with 2 steps 1: 2,3-Dichloro-1,4-naphthoquinone; sodium hydroxide / isopropyl alcohol / 2 h / 40 - 45 °C / Inert atmosphere 2: isopropyl alcohol / 4 h / 80 - 82 °C View Scheme

: C17H20ClN3O2

: 3896-11-5
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2H-5-chlorobenzotriazole

Conditions

Conditions	Yield
With sodium phosphite; hydrogen; sodium hydroxide at 80℃; under 11251.1 Torr; for 8h; Reagent/catalyst; Pressure; Temperature; Autoclave;	94.3%

: C17H18ClN3O2

: 3896-11-5
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2H-5-chlorobenzotriazole

Conditions

Conditions	Yield
With platinum on activated charcoal; hydrogen at 50 - 75℃; under 3750.38 - 6000.6 Torr; Autoclave;	92.1%

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

: 3896-11-5
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2H-5-chlorobenzotriazole

Conditions

Conditions	Yield
With sodium hydroxide; zinc In water at 90℃; for 0.5h;	92%

: 22617-04-5
2-<(4-Chloro-2-nitrophenyl)azo>-6-(1,1-dimethylethyl)-4-methylphenol

A: 109969-10-0
2-(2-Amino-4-chloro-phenylazo)-6-tert-butyl-4-methyl-phenol

B: 56750-11-9
2-tert-Butyl-6-(6-chloro-1-oxy-benzotriazol-2-yl)-4-methyl-phenol

C: 3896-11-5
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2H-5-chlorobenzotriazole

Conditions

Conditions	Yield
With sodium hydroxide; thiourea S,S-dioxide In methanol; water for 3h; Product distribution; Heating; other solvents, various molar equivalents of thiourea S,S-dioxide and NaOH;	A 3% B 2% C 91%
With sodium hydroxide; thiourea S,S-dioxide In water; isopropyl alcohol for 3h; Heating;	A 2% B 40% C 54%

...Expand

: 117-80-6
2,3-Dichloro-1,4-naphthoquinone

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

: 50-99-7
D-glucose

A: 94102-12-2
2-(2-hydroxy-3-t-butyl-5-methylphenyl)-5-chlorobenzotriazole-N-oxide

B: 3896-11-5
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2H-5-chlorobenzotriazole

Conditions

Conditions	Yield
With sodium hydroxide In methanol	A n/a B 89.5%

...Expand

: 56750-11-9
2-tert-Butyl-6-(6-chloro-1-oxy-benzotriazol-2-yl)-4-methyl-phenol

: 3896-11-5
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2H-5-chlorobenzotriazole

Conditions

Conditions	Yield
With sodium hydroxide; zinc In ethanol for 1h; Ambient temperature;	84%

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

Cu-II-acetylacetonate: Cu-II-acetylacetonate

: 2440-22-4
2-(2-Hydroxy-5-methylphenyl)benzotriazole

: 3896-11-5
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2H-5-chlorobenzotriazole

Conditions

Conditions	Yield
	70%

...Expand

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Chemistry

IUPAC Name: 2-tert-Butyl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenol
Molecular Formula: C₁₇H₁₈ClN₃O
Molecular Weight: 315.8 g/mol
Canonical SMILES: n1(c2c(c(cc(c2)C)C(C)(C)C)O)nc2ccc(cc2n1)Cl
InChI: InChI=1/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
EINECS: 223-445-4
Classification Code: Ultraviolet screen
Product Categories: Industrial / Fine Chemicals; Polymer Additives; Polymer Science; Stabilizers
Surface Tension: 43.1 dyne/cm
Density: 1.26 g/cm³
Flash Point: 232.3 °C
Enthalpy of Vaporization: 74.88 kJ/mol
Boiling Point: 460.4 °C at 760 mmHg
Melting Point: 144-147 °C(lit.)
Vapour Pressure of Bumetrizole (CAS NO.3896-11-5): 4.24E-09 mmHg at 25 °C

Safety Profile

Hazard Codes: 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.
WGK Germany of Bumetrizole (CAS NO.3896-11-5): 1

Specification

Bumetrizole (CAS NO.3896-11-5), its Synonyms are 2-(2'-Hydroxy-3'-tert-butyl-5'-methylphenyl)-5-chlorobenzotriazole ; 2-tert-Butyl-6-(5-chloro-2H-benzotriazol-2-yl)-p-cresol ; Bumetrizol ; Bumetrizolum ; Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-6-(1,1-dimethylethyl)-4-methyl- ; 2-(5-Chloro-2H-benzotriazol-2-yl)-6-(1,1-dimethylethyl)-4-methylp- henol ; 2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chloro-2H-benzotriazole ; UV-326 .