
CAS Number104224-68-2
Synonyms4-Bromo-2-tricyclo[3.3.1.1(3,7)]dec-1-ylphenol; 2-(1-adamantyl)-4-bromophenol; 2-Adamantyl-4-bromophenol; MFCD00169077; 2-ADAMANTANE-4-BROMOANISOLE; 4-BROMO-2-ADAMANTYL PHENOL; 4-Brom-2-(tricyclo[3.3.1.1]dec-1-yl)benzolol; 4-bromo-2-(tricyclo[3.3.1.1]dec-1-yl)phenol; 2-(Adamantan-1-yl)-4-bromophenol
Molecular FormulaC16H19BrO
Molecular Weight242.36
Purity99%
Density1.4±0.1 g/cm3
Boiling Point392.0±35.0 °C at 760 mmHg
Melting Point128-130 °C (lit.)
Appearancepowder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 104224-68-2 |
| Catalog No. | 2A-9001291 |
| Chinese Name | 2-(1-金刚烷基)-4-溴苯酚 |
| Synonyms | 4-Bromo-2-tricyclo[3.3.1.1(3,7)]dec-1-ylphenol; 2-(1-adamantyl)-4-bromophenol; 2-Adamantyl-4-bromophenol; MFCD00169077; 2-ADAMANTANE-4-BROMOANISOLE; 4-BROMO-2-ADAMANTYL PHENOL; 4-Brom-2-(tricyclo[3.3.1.1]dec-1-yl)benzolol; 4-bromo-2-(tricyclo[3.3.1.1]dec-1-yl)phenol; 2-(Adamantan-1-yl)-4-bromophenol |
| Molecular Formula | C16H19BrO |
| Molecular Weight | 242.36 |
| Purity | 99 |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 392.0±35.0 °C at 760 mmHg |
| Melting Point | 128-130 °C (lit.) |
| Appearance | powder |
| Storage Condition | Room Temperature |
| HTC | 2908199090 |
| PubChem ID | 24864613 |
| MDL Number | MFCD00168147 |
| SMILES | Cc1ccc(O)c(c1)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3 |
| InChI | 1S/C17H22O/c1-11-2-3-16(18)15(4-11)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,12-14,18H,5-10H2,1H3/t12-,13+,14-,17- |
| InChI Key | XHLJIHBDAJFXBE-ZZNDEYBLSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| MSDS | msds/1291_1_104224_68_2.pdf |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point: Flash point:No data Molecular formula:C16H19BrO Molecular weight:307.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, hydrogen bromide. Section11. Toxicological information Section12. Ecological information Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION Safety Information Hazard Codes Xi:Irritant HS Code 2908199090 Synthetic Route 4-Bromophenol CAS#:106-41-2 Adamantan-1-ol CAS#:768-95-6 2-(1-adamantyl)... CAS#:104224-68-2 Literature: Milanese, Alberto; Gorincioi, Elena; Rajabi, Mehdi; Vistoli, Giulio; Santaniello, Enzo Bioorganic Chemistry, 2011 , vol. 39, # 4 p. 151 - 158 4-Bromophenol CAS#:106-41-2 1-acetyloxyadam... CAS#:22635-62-7 2-(1-adamantyl)... CAS#:104224-68-2 Literature: US5015758 A1, ; 4-Bromophenol CAS#:106-41-2 Diethyl ether CAS#:60-29-7 Adamantan-1-ol CAS#:768-95-6 2-(1-adamantyl)... CAS#:104224-68-2 Literature: US5534641 A1, ; Precursor & DownStream Precursor 4 CAS#:106-41-2 4-Bromophenol CAS#:768-95-6 Adamantan-1-ol CAS#:22635-62-7 1-acetyloxyadam... CAS#:60-29-7 Diethyl ether DownStream 5 CAS#:736992-49-7 1-[2-(Benzyloxy... CAS#:104224-63-7 2-(1-Adamantyl)... CAS#:106685-40-9 CAS#:106685-41-0 Mehtyl 6-[3-(1-... |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 5.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary HS: 2908199090. Derivatives of polyphenols or phenol-alcohols containing only halogen substituents and their salts. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tariff:5.5%. general tariff:30.0% |
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