N,N-Diisopropylaniline
N,N-DIISOPROPYLANILI · N,N-Diisopropylaniline · N,N-diisopropy aniline · diisopropyl(phenyl)amine · N,N-Diisopropylbenzenamine · N,N-Diisopropylaniline 97% · N,N-di(propan-2-yl)aniline · Benzenamine, N,N-bis(1-methylethyl)-
식별자 및 물리적 특성
| CAS No. | 4107-98-6 |
|---|---|
| 분자식 | C12H19N |
| 평균 분자량 | 177.29 g/mol |
| 단동위원소 질량 | 177.15174961 g/mol |
| SMILES | CC(C)N(c1ccccc1)C(C)C |
| InChIKey | OVSARSKQWCLSJT-UHFFFAOYSA-N |
| PubChem CID | 61329 |
| ChEMBL | CHEMBL3185705 |
| EC No. | 625-530-5 |
| DTXSID | DTXSID8042189 |
화학 및 물리적 성질
| XLogP | 3.6 |
|---|---|
| 극성 표면적 | 3.2 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 126 |
| SpringerMaterials Properties | Optical coefficient |
| 녹는점 | -45°C (estimate) |
| 끓는 점 | 95-96 °C11 mm Hg(lit.) |
| 밀도 | 0.91 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.519(lit.) |
| 인화점 | 183 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| pKa(산도 계수) | 8.05±0.20(Predicted) |
| 물리적 상태 | 액체 |
| 색상 | 무색~담황색 |
| EPA | N,N-Diisopropylaniline (4107-98-6) |
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
용도
용도
N,N-Diisopropylaniline was used for the synthesis of 4-diisopropylamino benzonitrile.It may be used for the synthesis of 6-(4-bromophenyl)-3-methoxy-5-methyl-8-oxabicyclo[3.2.1]octa-3,6-dien-2-one.
일반 설명
N,N-Diisopropylaniline is an N,N-dialkylaniline. Its borane adducts have been prepared and reported as hydroborating agents. Thermal dissociation of the borane-N,N-diisopropylaniline adduct has been reported to afford gaseous diborane. N,N-Diisopropylaniline is a diisoproplyamino derivative that can be prepared by reacting bromobenzene with diisopropylamine.