2-아미노-4-테르트-부틸페놀
2-아미노-4-테르트-부틸페놀 · hydrogen arsorite · 2-Amino-4-tert-butyL · T-BUTYL-O-AMINOPHENOL · 2-AMINO-4-T-BUTYLPHENOL · 2-AMINO-4-TERT-BUTYLPHENOL · 4-tert-Butyl-2-aminophenol · o-Amino-p-tert-butylphenol
식별자 및 물리적 특성
| CAS No. | 1199-46-8 |
|---|---|
| 분자식 | C10H15NO |
| 평균 분자량 | 165.23 g/mol |
| 단동위원소 질량 | 165.1153641 g/mol |
| SMILES | CC(C)(C)c1ccc(O)c(N)c1 |
| InChIKey | RPJUVNYXHUCRMG-UHFFFAOYSA-N |
| PubChem CID | 70982 |
| ChEMBL | CHEMBL1321329 |
| EC No. | 214-844-4 |
| DTXSID | DTXSID60152615 |
| 현지명 | 2-아미노-4-테르트-부틸페놀 |
화학 및 물리적 성질
| XLogP | 2.5 |
|---|---|
| 극성 표면적 | 46.3 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 150 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 녹는점 | 160-163 °C(lit.) |
| 끓는 점 | 293.09°C (rough estimate) |
| 밀도 | 1.0203 (rough estimate) |
| 굴절률 | 1.5290 (estimate) |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 물리적 상태 | powder to crystal |
| pKa(산도 계수) | 9.97±0.18(Predicted) |
| 색상 | 흰색에서 갈색으로 |
| InChI | InChI=1S/C10H15NO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,11H2,1-3H3 |
| InChIKey | RPJUVNYXHUCRMG-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=C(C(C)(C)C)C=C1N |
화학적 성질
BEIGE TO BROWN CRYSTALLINE POWDER
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29222990 |
| 위험 문구(R) | 20/21/22-36/37/38 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26-37/39 |
| 기존화학 물질 | 2001-3-1706 |
| 위험 등급 | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
2-Amino-4-tert-butylphenol can be used as a reactant to prepare: 4-tert-butyl-2-[(pyridylmethylene)amino]phenol intermediates, which are used to synthesize biologically important 2-(pyridyl)benzoxazole derivatives.Prolinamide phenols, as efficient hydrophobic organocatalysts for direct asymmetric aldol reaction aldehydes and ketones in water.N-(2-hydroxy-4-tert-butylphenyl)-acetamide, a key intermediate to prepare uranylsalophene derivatives which can be used as selective receptors in anion sensitive membrane sensors.Poly(2-amino-4-tert-butylphenol) [poly(2A-4TBP)] by electrochemical or chemical oxidative polymerization reaction.