Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
O-크실리딘
2,3-자일리딘 · O-크실리딘 · 1-아미노-2,3-디메틸벤젠 · 2,3-다이메틸벤젠아민 · 2,3-다이메틸아닐린 · 2,3-다이메틸페닐아민 · 2,3-디메틸아닐린 · 2,3-자일릴아민
식별자 및 물리적 특성
| CAS No. | 87-59-2 |
|---|---|
| 분자식 | C8H11N |
| 평균 분자량 | 121.18 g/mol |
| 단동위원소 질량 | 121.08914935 g/mol |
| SMILES | Cc1cccc(N)c1C |
| InChIKey | VVAKEQGKZNKUSU-UHFFFAOYSA-N |
| PubChem CID | 6893 |
| ChEMBL | CHEMBL1578983 |
| EC No. | 201-755-0 |
| DTXSID | DTXSID3026304 |
| 현지명 | O-크실리딘 |
화학 및 물리적 성질
| XLogP | 2.3 |
|---|---|
| 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 | 90.6 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP(분배 계수) | 2.17 |
| 밀도 | 0.9931 at 68 °F (NTP, 1992) - Less dense than waterwill float0.9931 @ 20 °CRelative density (water = 1): 0.990.993 g/mL at 25 °C (lit.) |
| Color/Form | Liquid |
| 용해도 | 1 to 5 mg/mL at 75 °F (NTP, 1992)Sol in alcohol, ethersoluble in carbon tetrachlorideSlightly sol in waterSoluble in oxygenated solvents.Solubility in water, g/100ml at 20 °C: 151.5g/L |
| 인화점 | 206 °F (NTP, 1992)206 °F (97 °C) (Closed cup)96 °C c.c.205 °F |
| 끓는 점 | 430 to 432 °F at 760 mmHg (NTP, 1992)221.5 °C @ 760 mm Hg222 °C221-222 °C (lit.) |
| 녹는점 | less than 5 °F (NTP, 1992)< -15 °C2 °C2.5 °C (lit.) |
| 증기 밀도 | Relative vapor density (air = 1): 4.194.2 (vs air) |
| 후각 역치 | Odor threshold in air= 1.00X10+12 molecules/cc. /Xylidines/Threshold for xylidine is 0.0240 mg/cu m /Xylidines/ |
| 증기압 | 7.5X10-2 mm Hg at 25 °CVapor pressure, Pa at 25 °C: 130.13 hPa (25 °C) |
| 굴절률 | Index of refraction: 1.5684 @ 20 °C/Dn20/D 1.569(lit.) |
| 저장 조건 | Store below +30°C. |
| pKa(산도 계수) | pK1:4.70(+1) (25°C) |
| 물리적 상태 | 액체 |
| 색상 | 투명한 노란색에서 적갈색까지 |
| 폭발한계 | 1-2.7%(V) |
| 용해도 | 30g/L(20℃) |
| Merck | 14,10084 |
| BRN | 742174 |
| 헨리 상수 | 3.9×100 mol/(m3Pa) at 25℃, HSDB (2015) |
| 안정성 | 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다. 차아염소산 표백제와 반응함. 이 물질은 빛에 민감할 수 있습니다. |
| InChI | 1S/C8H11N/c1-6-4-3-5-8(9)7(6)2/h3-5H,9H2,1-2H3 |
| InChIKey | VVAKEQGKZNKUSU-UHFFFAOYSA-N |
| SMILES | Cc1cccc(N)c1C |
| NIST | Benzenamine, 2,3-dimethyl-(87-59-2) |
| EPA | 2,3-Dimethylaniline (87-59-2) |
화학적 성질
brown liquid
안전 및 규제
| GHS 분류 | DangerH301+H311+H331 (49.8%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]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)Aggregated GHS information provided per 209 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H302: Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| 규제 정보 | Chemical: Benzenamine, 2,3-dimethyl-Status: Active Update: 07-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/115592,3-Dimethylaniline: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Benzenamine, 2,3-dimethyl-: Environment tier I assessment |
| 운송 라벨(DOT) | Poison |
| 화재 위험 | This compound is combustible. (NTP, 1992)Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Above 96 °C explosive vapour/air mixtures may be formed. |
| 건강 유해성 | SYMPTOMS: Exposure to this compound can cause local irritation of skin, eyes and mucous membranes. Other symptoms include anoxia and cyanosislung, liver and kidney damage. |
| 유해성 요약 | The major hazards encountered in the use and handling of 2,3-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 dyes. Contact with 2,3-xylidine may cause burns to the skin and eyes. Death is also a possible outcome from exposure. While the OSHA PEL is set at a TWA of 5 ppm, the ACGIH lists xylidine (mixed isomers) on its 1988-1989 Notice of Intended Changes with a proposed TLV of 0.5 ppm, and a designation of "suspected human carcinogen". 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, immediatly 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 2,3-xylidine, consult with environmental regulatory agencies for guidance. |
용도
용도
Reagent used in the preparation of non-steroidal anti-inflammatory drugs, dyes and pesticides.
일반 설명
Dark brown liquid.