Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,6-다이메틸아닐린
2,6-다이메틸아닐린 · 2,6-자일리딘 · o-자일리딘 · 벤젠아민,2,6-다이메틸- · 2,6-XYLIDINE · 2,6-Dimethylbenzenamine · xylylamine · 2,6-Dimethyl-phenylamine
식별자 및 물리적 특성
| CAS No. | 87-62-7 |
|---|---|
| 분자식 | C8H11N |
| 평균 분자량 | 121.18 g/mol |
| 단동위원소 질량 | 121.08914935 g/mol |
| SMILES | Cc1cccc(C)c1N |
| InChIKey | UFFBMTHBGFGIHF-UHFFFAOYSA-N |
| PubChem CID | 6896 |
| ChEMBL | CHEMBL1340793 |
| ChEBI | CHEBI:28738 |
| EC No. | 201-758-7 |
| DTXSID | DTXSID8026307 |
| 현지명 | 2,6-다이메틸아닐린 |
화학 및 물리적 성질
| XLogP | 1.8 |
|---|---|
| 극성 표면적 | 26 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 80.6 |
| 물질 분류 | Carcinogens |
| 의약품 | Pharmaceuticals -> Metabolite of LidocainePharmaceutical -> transformation product |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP(분배 계수) | log Kow = 1.84 |
| 냄새 | Characteristic odor |
| 밀도 | 0.984 (USCG, 1999) - Less dense than waterwill float0.9842 g/cu cm at 20 °CRelative density (water = 1): 0.980.984 g/mL at 25 °C(lit.) |
| Viscosity | 1.7 mPa.s (dynamic) at 50 °C |
| Color/Form | Yellow liquidColorless to reddish-yellow, clear liquidPale yellow liquid |
| 용해도 | less than 1 mg/mL at 75 °F (NTP, 1992)In water, 8240 ppm at 25 °CIn water, 7000 mg/L at 20 °CVery soluble in ethanol, etherSoluble in oxygenated and aromatic solventsSolubility in water, g/100ml at 20 °C: 0.713g/L |
| 인화점 | 196 °F (NTP, 1992)91 °C (196 °F) - closed cup |
| 끓는 점 | 417 °F at 739 mmHg (NTP, 1992)216 °CBoiling point: 214 °C at 739 mm Hg215 °C |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| 녹는점 | 10-12 °C(lit.) |
| 증기압 | <0.01 mm Hg ( 20 °C) |
| 굴절률 | n20/D 1.560(lit.) |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 3.89(at 25℃) |
| 색상 | 투명한 노란색에서 적갈색까지 |
| pH | 12.5 (100g/l, H2O, 20℃) |
| 폭발한계 | 1.3-6.9%(V) |
| 용해도 | 7.5g/L(20℃) |
| 비열 | Cp(liquid): 1.97 J/(g·K), at 25℃ |
| Merck | 14,10084 |
| BRN | 636332 |
| 헨리 상수 | 3.9×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| 안정성 | 공기에 민감한, 흡습성 |
| 주요 응용 | 농업청소용품화장품환경음식 및 음료개인 위생 관리 |
| InChI | 1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3 |
| InChIKey | UFFBMTHBGFGIHF-UHFFFAOYSA-N |
| SMILES | Cc1cccc(C)c1N |
| LogP(분배 계수) | 1.840 |
| NIST | Benzenamine, 2,6-dimethyl-(87-62-7) |
| EPA | 2,6-Xylidine (87-62-7) |
화학적 성질
clear yellow to red-brown liquid
안전 및 규제
| GHS 분류 | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 0.3% (1 of 300) of reports.H302+H312+H332 (24.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation] |
|---|---|
| 규제 정보 | Chemical: Benzenamine, 2,6-dimethyl-Hazard Traits - CarcinogenicityStatus: Active Update: 31-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/136102,6-Dimethylaniline: 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.) |
| 기타 안전 정보 | IMAP assessments - Xylidines: Human health tier II assessment |
| 운송 라벨(DOT) | Poison |
| 화재 위험 | Special Hazards of Combustion Products: Container explosion may occur under fire conditions. Emits toxic fumes under fire conditions. (USCG, 1999)Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Above 91 °C explosive vapour/air mixtures may be formed. |
| 화재 가능성 | This chemical is a combustible liquid. /Xylidines/ |
| 건강 유해성 | May be fatal if inhaled, swallowed or absorbed through skin. Vapor or mist irritating to the eyes, mucous membranes and upper respiratory tractcauses skin irritation. Absorption into body leads to the formation of methemoglobin which, in sufficient concentration, may cause cyanosis. Onset may be delayed 2-4 hours or longer. Exposure can cause nausea, dizziness, headache, damage to the eyes, and blood effects. (USCG, 1999) |
| 유해성 요약 | The major hazards encountered in the use and handling of 2,6-xylidine stem from its toxicologic properties. Toxic by all routes (ie, inhalation, ingestion, and dermal absorption), exposure to this liquid may occur from its use as a chemical intermediate for the production of dyes, pesticides, and pharmaceuticals. Contact with 2,6-xylidine may cause burns to the skin and eyes. Death is also a possible outcome from exposure. In activities or situations where over-exposure may occur, wear a self-contained breathing apparatus, and full chemical protective clothing which is specifically recommended by the shipper or manufacturer to prevent skin contact with xylidine. If contact should occur, immediately flush the affected skin or eyes with running water for at least 15 minutes. Remove contaminated clothing and shoes at the site. Do not eat or smoke in xylidine work areas. While xylidine does not ignite easily, it can burn with the production of irritating or poisonous gases. Also, containers may explode violently in the heat of a fire. Fires involving xylidine may be extinguished with dry chemical, CO2, Halon, or standard foam. Water spray if used, should be applied with caution because it may cause frothing. Fight the fire from a maximum distance and dike runoff from fire control water. Xylidine should be stored away from heat, strong oxidizers, and hypochlorite bleaches. Shipping regulations and other DOT regulatory requirements should be consulted before transport. If xylidine should spill, dike far ahead, then take up with sand or other noncombustible absorbent and place into containers for later disposal. Incineration is a possible form of disposal for xylidine. Before implementing land disposal of waste 2,6-xylidine, consult with environmental regulatory agencies for guidance. |
용도
용도
2,6-Dimethylaniline is used in pharmaceuticals, as dye intermediates and in organic synthesis. It is also used in the production of antioxidants, agricultural, pharmaceutical, rubber chemicals and other target organic molecules.
일반 설명
A liquid. Toxic by ingestion, inhalation and skin absorption. Slightly soluble in water. Used in pharmaceuticals, as dye intermediates and organic syntheses.
제조 및 합성 방법
제조 방법
2,6-Dimethylaninile is prepared by nitration of xylene and reduction, followed by removal of the 2,4-isomer by formation of the acetate salt, removal of the 2,5-isomer by formation of the hydrochloride salt, and recovery of the 2,6-isomer by sublimation (US National Library of Medicine, 1992a).2,6-Dimethylaniline is produced by one company each in Japan, Switzerland and the USA and by three companies in Germany (Chemical Information Servces, 1991).