Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
트리벤질아민
트리벤질아민 · TRIBENZYLAMINE · AURORA KA-4701 · Tribenzylamine >N,N,N-TRIBENZYLAMINE · TRIBENZYLAMINE 99+% · 4-Dihydroxypteridine · TribenzylaMine, 99.3% · Tribenzylamine, ≥ 99.0%
식별자 및 물리적 특성
| CAS No. | 620-40-6 |
|---|---|
| 분자식 | C21H21N |
| 평균 분자량 | 287.4 g/mol |
| 단동위원소 질량 | 287.16739967 g/mol |
| SMILES | c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1 |
| InChIKey | MXHTZQSKTCCMFG-UHFFFAOYSA-N |
| PubChem CID | 24321 |
| ChEMBL | CHEMBL3184803 |
| EC No. | 210-638-3 |
| DTXSID | DTXSID5047031 |
| 현지명 | 트리벤질아민 |
화학 및 물리적 성질
| XLogP | 4.7 |
|---|---|
| 극성 표면적 | 3.2 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 22 |
| 형식 전하 | 0 |
| 복잡도 | 235 |
| Polymers | Nitrogen Compounds -> Amines, Polyaromatic |
| SpringerMaterials Properties | Crystal structure |
| 밀도 | 0.9912 @25 °C0.991g/cm3 |
| Physical Description | White powder[Sigma-Aldrich MSDS] |
| Collision Cross Section | 169.1 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID5047031] |
| 녹는점 | 91-94 °C (lit.) |
| 끓는 점 | 380-390 °C |
| 증기압 | 0Pa at 25℃ |
| 굴절률 | 1.8240 (estimate) |
| 인화점 | >230 °F |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 6.90±0.50(Predicted) |
| 색상 | 흰색에서 연한 크림 |
| pH | 6.5-9.0 (10g/l, H2O, 20℃)suspension |
| 용해도 | 불용성 |
| BRN | 2214682 |
| InChI | 1S/C21H21N/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2 |
| InChIKey | MXHTZQSKTCCMFG-UHFFFAOYSA-N |
| SMILES | C(N(Cc1ccccc1)Cc2ccccc2)c3ccccc3 |
| LogP(분배 계수) | 4.313 (est) |
| NIST | Benzenemethanamine, N,N-bis(phenylmethyl)-(620-40-6) |
| EPA | Benzenemethanamine, N,N-bis(phenylmethyl)- (620-40-6) |
화학적 성질
white to light cream powder
안전 및 규제
| GHS 분류 | WarningH315 (99.9%): 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 1436 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Benzenemethanamine, N,N-bis(phenylmethyl)-REACH registered substance: Tribenzylamine (EC: 210-638-3)Tribenzylamine: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | An irritant[Sigma-Aldrich MSDS] See Triphenylamine and Diphenylamine. |
| Hazard Classes and Categories | Skin Irrit. 2 (99.9%) |
| Protective Action Criteria (PAC) | 12 [mg/m3]130 [mg/m3]790 [mg/m3] |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | 1325 |
| 관세 코드 | 29214980 |
| 위험 문구(R) | 36/37/38-22 |
| 위험 표시 | Xi,Xn |
| 안전 문구(S) | 26-36-37/39 |
| 포장분류 | III |
| 위험 등급 | 4.1Skin Sens. 1 |
| F 고인화성물질 | 9-34 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Tribenzylamine (TBA) is a tertiary amine which can be used :As a nitrogen group source for the reactions involving CN bond formation.For the synthesis of imine i.e. Nbenzylidene benzylamine by aerobic oxidative condensation.As an extractant for the separation and determination of Cr(VI) and Cr(III) from wastewater.TBA can also undergo debenzylation in the presence of ceric ammonium nitrate (CAN) to form dibenzylamine.