Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
N,N-디에틸아닐린
N,N-다이에틸아닐린 · Diethylphenylamine,N-PHENYLDIETHYLAMINE,N,N-디에틸아닐린 · N,N-디에틸아닐린 · (다이에틸아미노)벤젠 · N,N-다이에틸벤젠아민 · N,N-다이에틸아미노벤젠 · N,N-다이에틸페닐아민 · N,N-디에틸벤젠아민

식별자 및 물리적 특성
| CAS No. | 91-66-7 |
|---|---|
| 분자식 | C10H15N |
| 평균 분자량 | 149.23 g/mol |
| 단동위원소 질량 | 149.12044948 g/mol |
| SMILES | CCN(CC)c1ccccc1 |
| InChIKey | GGSUCNLOZRCGPQ-UHFFFAOYSA-N |
| PubChem CID | 7061 |
| ChEMBL | CHEMBL252071 |
| EC No. | 202-088-8 |
| DTXSID | DTXSID8021800 |
| 현지명 | N,N-디에틸아닐린 |
화학 및 물리적 성질
| XLogP | 3.3 |
|---|---|
| 극성 표면적 | 3.2 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 91 |
| LogP(분배 계수) | log Kow= 3.31 |
| 밀도 | 0.906 (USCG, 1999) - Less dense than waterwill float0.9307 @ 20 °C/4 °CRelative density (water = 1): 0.930.9307 @ 20°C0.938 g/mL at 25 °C(lit.) |
| Color/Form | Colorless to yellow liquidBROWN OILY LIQUID |
| 용해도 | less than 1 mg/mL at 76.1 °F (NTP, 1992)1 g dissolves in 70 ml of water at 12 °Cslightly sol in alcohol, chloroform and etherSol in acetoneIn water, 139 mg/l @ 25 °CSolubility in water, g/100ml at 25 °C: 0.014물: 12°C에서 70ml에 1g이 녹습니다. |
| 인화점 | 185 °F (NTP, 1992)185 °F (85 °C) (CLOSED CUP)79 °C c.c.208 °F |
| 끓는 점 | 419.9 °F at 760 mmHg198 °F at 10 mmHg (NTP, 1992)216.3 °C216.3 °C @760 [mm Hg]217 °C(lit.) |
| Decomposition | When heated to decomposition it emits toxic fumes of nitroxides.215 °C |
| 녹는점 | -37.8 °F (NTP, 1992)-38.8 °C-38 °C |
| 증기 밀도 | 1.0 (AIR= 1)Relative vapor density (air = 1): 5.15.2 (vs air) |
| 증기압 | 1 mmHg at 121.5 °F (NTP, 1992)0.13 [mmHg]0.14 mm Hg @ 25 °CVapor pressure, Pa at 20 °C: 191 mm Hg ( 49.7 °C) |
| 굴절률 | Index of refraction: 1.5409 @ 20 °C/Dn20/D 1.542(lit.) |
| Physical Description | N,n-diethylaniline appears as a colorless to yellow liquid with a fishlike odor, that is strongly corrosive. Irritating to skin, eyes and mucous membranes and moderately toxic by inhalation, absorption and ingestion. Flash point 185 °F. Used in dyes and in the production of organic chemicals.Colorless to yellow liquid[Merck Index] Light yellow liquid[MSDSonline]COLOURLESS-TO-YELLOW LIQUID WITH CHARACTERISTIC ODOUR. |
| 저장 조건 | Store below +30°C. |
| pKa(산도 계수) | 6.61(at 22℃) |
| 물리적 상태 | 액체 |
| 색상 | 맑은 노란색 |
| pH | 8 (0.1g/l, H2O, 20℃) |
| 폭발한계 | 1.1-5.3%(V) |
| 용해도 | 14g/L(12℃) |
| Merck | 14,3114 |
| BRN | 742483 |
| 헨리 상수 | 6.7×10-2 mol/(m3Pa) at 25℃, Brockbank (2013) |
| 유전율 | 5.5(19℃) |
| 안정성 | 안정적인. 타기 쉬운. 강한 산화제, 강산과 호환되지 않습니다. |
| InChI | 1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3 |
| InChIKey | GGSUCNLOZRCGPQ-UHFFFAOYSA-N |
| SMILES | CCN(CC)c1ccccc1 |
| LogP(분배 계수) | 3.904 at 25℃ |
| NIST | Benzenamine, N,N-diethyl-(91-66-7) |
| EPA | N,N-Diethylaniline (91-66-7) |
화학적 성질
N,N-Diethylaniline is a pale yellow liquid. It is slightly soluble in water (1.40 g/L at 12°C), and soluble in alcohol and ether.
안전 및 규제
| GHS 분류 | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]H311: Toxic in contact with skin [Danger Acute toxicity, dermal]H331: Toxic if inhaled [Danger Acute toxicity, inhalation]H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 0.2% (1 of 421) of reports. |
|---|---|
| 규제 정보 | Chemical: Benzenamine, N,N-diethyl-Hazard Traits - Hepatotoxicity and Digestive System ToxicityImmunotoxicityNeurotoxicityAuthoritative List - CA TACsReport - if used as a fragrance or flavor ingredientBenzenamine, N,N-diethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, N,N-diethyl- 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: 21-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/5270Status: Cease Manufacture Update: 07-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20925Diethylaniline: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 운송 라벨(DOT) | Poison |
| 화재 위험 | Special Hazards of Combustion Products: Emits toxic fumes under fire conditions. (USCG, 1999)· Combustible material: may burn but does not ignite readily.· When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards.· Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. |
용도
용도
N,N-Diethylaniline is used in dyestuffs and in the synthesis of other intermediates and pharmaceuticals.
일반 설명
A colorless to yellow liquid with a fishlike odor, that is strongly corrosive. Irritating to skin, eyes and mucous membranes and moderately toxic by inhalation, absorption and ingestion. Flash point 185°F. Used in dyes and in the production of organic chemicals.