Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
디벤질아민
다이벤질아민 · N-(페닐메칠)벤제네메타나민 · 디벤질아민 · N,N-DIBENZYLAMINE · N-benzyl-1-phenylmethanamine · Accelerator DBA · N-Benzylbenzylamine · DBZA
식별자 및 물리적 특성
| CAS No. | 103-49-1 |
|---|---|
| 분자식 | C14H15N |
| 평균 분자량 | 197.27 g/mol |
| 단동위원소 질량 | 197.12044948 g/mol |
| SMILES | c1ccc(CNCc2ccccc2)cc1 |
| InChIKey | BWLUMTFWVZZZND-UHFFFAOYSA-N |
| PubChem CID | 7656 |
| ChEMBL | CHEMBL3182419 |
| ChEBI | CHEBI:189125 |
| EC No. | 203-117-7 |
| DTXSID | DTXSID6044355 |
| 현지명 | 디벤질아민 |
화학 및 물리적 성질
| XLogP | 2.7 |
|---|---|
| 극성 표면적 | 12 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 15 |
| 형식 전하 | 0 |
| 복잡도 | 137 |
| 증기압 | 0.00026 [mmHg]1-1013hPa at 113.1-286℃ |
| Physical Description | Liquid with an ammoniacal odor[Merck Index] Colorless liquid with a weak odor[Alfa Aesar MSDS] |
| Ionization Efficiency | Positive52.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| Kovats Retention Index | 1688.9167024272473 |
| Collision Cross Section | 149.6 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID6044355]150.8 Ų [M+H]+ [CCS Type: DTIonization: APCI+ |
| 녹는점 | -26 °C (lit.) |
| 끓는 점 | 300 °C (lit.) |
| 밀도 | 1.026 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.574(lit.) |
| 인화점 | 290 °F |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 용해도 | 0.4g/L |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | pK1:8.52(+1) (25°C) |
| 색상 | 무색투명~연황색 |
| pH | 8.9 (H2O, 20℃) |
| 냄새 | 암모니아 같은 냄새 |
| 용해도 | 0.05g/L(20℃) |
| Merck | 14,3011 |
| BRN | 909664 |
| 유전율 | 3.6(20℃) |
| 안정성 | 안정적인. 산화제, 산 무수물, 산, 산 염화물, 클로로포르메이트와 호환되지 않습니다. |
| InChI | 1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2 |
| InChIKey | BWLUMTFWVZZZND-UHFFFAOYSA-N |
| SMILES | C(NCc1ccccc1)c2ccccc2 |
| LogP(분배 계수) | 2.67 at 20℃ |
| NIST | Dibenzylamine(103-49-1) |
| EPA | Dibenzylamine (103-49-1) |
화학적 성질
colorless to light yellow oily liquid with ammonia odor. soluble in ethanol and ether, insoluble in water.
안전 및 규제
| GHS 분류 | DangerH302 (99.6%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (75.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (24.6%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (42.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (24.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H410 (44.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]H412 (18.8%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 256 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Chemical: Benzenemethanamine, N-(phenylmethyl)-Benzenemethanamine, N-(phenylmethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanamine, N-(phenylmethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 14-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11844Status: Cease Manufacture Update: 06-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24936Status: Cease Manufacture Update: 14-03-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7229Dibenzylamine: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungsHarmful by ingestion[Alfa Aesar MSDS] See Diphenylamine. |
| Hazard Classes and Categories | Acute Tox. 4 (99.6%)Skin Corr. 1C (75.4%)Skin Irrit. 2 (24.6%)Eye Dam. 1 (42.2%)Eye Irrit. 2 (24.6%)Aquatic Chronic 1 (44.1%)Aquatic Chronic 3 (18.8%) |
| 유해 작용 | Dermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors. |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | 2810 |
| 관세 코드 | 29214980 |
| 위험 문구(R) | 22-36/38-52/53-34 |
| 위험 표시 | Xn,Xi,C |
| 안전 문구(S) | 26-61-45-36/37/39 |
| 포장분류 | III |
| 위험 등급 | 8Acute Tox. 4 OralAquatic Chronic 1Eye Dam. 1Skin Corr. 1C |
| 기존화학 물질 | KE-28393 |
| 위험 참고 사항 | Irritant/Corrosive |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
용도
Dibenzylamine is used to prepare rubber accelerator for the vulcanization process and reaction-stoppers. Dibenzylamine type accelerators reduce nitrosamine production in the compounding process. It is also used to produce dibenzyl-nitroso-amine.
제조 및 합성 방법
제조 방법
Dibenzylamine is obtained by the reaction of benzyl chloride and liquid ammonia in ethanol.