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| CAS No.: | 3896-11-5 |
|---|---|
| Name: | Bumetrizole |
| Molecular Structure: | |
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| 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: | 4μg/L at 20℃ |
| Appearance: | powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 50.94000 |
| LogP: | 4.38540 |
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- 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 | Yield |
|---|---|
| With sodium hydroxide; thiourea S,S-dioxide In water; isopropyl alcohol for 3h; Heating; | A 0.3% B 98% |
- 3896-11-5
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2H-5-chlorobenzotriazole
| 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 | 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 |
- 3896-11-5
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2H-5-chlorobenzotriazole
| Conditions | Yield |
|---|---|
| With sodium phosphite; hydrogen; sodium hydroxide at 80℃; under 11251.1 Torr; for 8h; Reagent/catalyst; Pressure; Temperature; Autoclave; | 94.3% |
- 3896-11-5
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2H-5-chlorobenzotriazole
| Conditions | Yield |
|---|---|
| With platinum on activated charcoal; hydrogen at 50 - 75℃; under 3750.38 - 6000.6 Torr; Autoclave; | 92.1% |
- 3896-11-5
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2H-5-chlorobenzotriazole
| 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 | 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% |
- 117-80-6
2,3-Dichloro-1,4-naphthoquinone
- 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 | Yield |
|---|---|
| With sodium hydroxide In methanol | A n/a B 89.5% |
- 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 | Yield |
|---|---|
| With sodium hydroxide; zinc In ethanol for 1h; Ambient temperature; | 84% |
- 2440-22-4
2-(2-Hydroxy-5-methylphenyl)benzotriazole
- 3896-11-5
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2H-5-chlorobenzotriazole
| Conditions | Yield |
|---|---|
| 70% |
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Chemistry
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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: 
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 .