CAS Number107534-96-3
Synonyms1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)-3-pentanol,Tebuconazole; Tebuconazole; Lynx 1.2; α-[2-(4-chlorophenyl)ethyl]-α-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol; MFCD02674797; HORIZON; RAXIL; FOLICUR; MATADOR; (RS)-1-p-chlorophenyl-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol; LYNX; rac-(3R)-1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol; Tebuconazol; ELITE; EINECS 403-640-2; 1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)-3-pentanol
Molecular FormulaC16H22ClN3O
Molecular Weight307.82
Purity98.00%
Density1.1±0.1 g/cm3
Boiling Point476.9±55.0 °C at 760 mmHg
Melting Point102-105°C
AppearanceSolid;White to Almost white powder to crystal
EINECS403-640-2
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 107534-96-3 |
| Catalog No. | 2A-9012598 |
| Chinese Name | 戊唑醇 |
| Synonyms | 1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)-3-pentanol,Tebuconazole; Tebuconazole; Lynx 1.2; α-[2-(4-chlorophenyl)ethyl]-α-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol; MFCD02674797; HORIZON; RAXIL; FOLICUR; MATADOR; (RS)-1-p-chlorophenyl-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol; LYNX; rac-(3R)-1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol; Tebuconazol; ELITE; EINECS 403-640-2; 1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)-3-pentanol |
| Molecular Formula | C16H22ClN3O |
| Molecular Weight | 307.82 |
| Purity | 98.00 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 476.9±55.0 °C at 760 mmHg |
| Melting Point | 102-105°C |
| Appearance | Solid;White to Almost white powder to crystal |
| Water Solubility | 32 mg/L at 20 ºC |
| Storage Condition | Sealed and stored in a cool, dry warehouse. |
| Application | Tebuconazole is an agricultural azole fungicide that also inhibits CYP51, with IC50 values of 0.9 and 1.3 μM for Candida albicans CYP51 (CaCYP51) and fragmented human CYP51 (Δ60HsCYP51), respectivel |
| EINECS | 403-640-2 |
| HTC | 2933990015 |
| PubChem ID | 329753956 |
| MDL Number | MFCD00145350 |
| SMILES | CC(C)(C)C(CO)(CCc1ccc(Cl)cc1)n2cncn2 |
| InChI | 1S/C16H22ClN3O/c1-15(2,3)16(10-21,20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3 |
| InChI Key | UAJBSHCDOPGGBX-UHFFFAOYSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| Hazard Symbols | Transport |
| MSDS | msds/12598_1_107534_96_3.pdf |
| Bioactivity | Tebuconazole is an agricultural azole fungicide which can also inhibit CYP51 with IC50s of 0.9 and 1.3 μM for Candida albicans CYP51 (CaCYP51) and truncated Homo sapiens CYP51 (Δ60HsCYP51), respectively. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450 Signaling Pathways >> Anti-infection >> Fungal Research Areas >> Infection Target IC50: 0.9 μM (CaCYP51), 1.3 μM (Δ60HsCYP51)[1] References [1]. Warrilow AG, et al. Azole affinity of sterol 14α-demethylase (CYP51) enzymes from Candida albicans and Homo sapiens. Antimicrob Agents Chemother. 2013 Mar;57(3):1352-60. Chemical & Physical Properties Density 1.1±0.1 g/cm3 Boiling Point 476.9±55.0 °C at 760 mmHg Melting Point 102-105°C Molecular Formula C16H22ClN3O Molecular Weight 307.818 Flash Point 242.2±31.5 °C Exact Mass 307.145142 PSA 50.94000 LogP 3.58 Vapour Pressure 0.0±1.3 mmHg at 25°C Index of Refraction 1.564 InChIKey PXMNMQRDXWABCY-UHFFFAOYSA-N SMILES CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1 Storage condition 0-6°C Water Solubility 32 mg/L at 20 ºC |
| Use of | Tebuconazole is an agricultural azole fungicide which can also inhibit CYP51 with IC50s of 0.9 and 1.3 μM for Candida albicans CYP51 (CaCYP51) and truncated Homo sapiens CYP51 (Δ60HsCYP51), respectively. Properties Articles32 Name tebuconazole Synonym More Synonyms tebuconazole Biological Activity Description Tebuconazole is an agricultural azole fungicide which can also inhibit CYP51 with IC50s of 0.9 and 1.3 μM for Candida albicans CYP51 (CaCYP51) and truncated Homo sapiens CYP51 (Δ60HsCYP51), respectively. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450 Signaling Pathways >> Anti-infection >> Fungal Research Areas >> Infection IC50: 0.9 μM (CaCYP51), 1.3 μM (Δ60HsCYP51)[1] References [1]. Warrilow AG, et al. Azole affinity of sterol 14α-demethylase (CYP51) enzymes from Candida albicans and Homo sapiens. Antimicrob Agents Chemother. 2013 Mar;57(3):1352-60. Chemical & Physical Properties Exact Mass 307.145142 PSA 50.94000 Index of Refraction 1.564 InChIKey PXMNMQRDXWABCY-UHFFFAOYSA-N |
| Tax Rebate | 9.0% |
| Supervision | S. Import and export pesticide registration certificate |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 3077 International Maritime Transport Danger Regulations: 3077 International Air Transport Danger Regulations: 3077 14.2 United Nations shipping name European land transport hazard regulations: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (1-(4-Chlorophenyl)- 4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol) IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (1-(4-Chlorophenyl)- 4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol) International air transport hazard regulations: Environmentally hazardous substance, solid, n.o.s. (1-(4-Chlorophenyl)-4,4-dimethyl-3- (1,2,4-triazol-1-ylmethyl)pentan-3-ol) 14.3 Transport hazard categories European land transport Dangerous Regulations: 9 International sea transport Dangerous Regulations: 9 International air transport Dangerous Regulations: 9 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: Yes International Maritime Transport Dangerous Regulations International Air Transport Dangerous Regulations: Yes Marine Pollutants (Yes/No): Yes 14.6 Special reminder to users further information Dangerous goods are individually packaged, with liquids exceeding 5 liters or solids exceeding 5 kilograms. The outer packaging of each independent package and the combined independent inner package must have EHS on it. Identification (according to European ADR Regulation 2.2.9.1.10, IMDG Regulation 2.10.3), |
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