tert-부틸나이트라이트
tert-부틸나이트라이트 · tBuoNo · T-BUTYL NITRITE · t-BuNO2 · t-butyl ester · Tertiary butyl nitrite · tert-Butyl nitrite 90% · 2-methyl-2-nitritopropane
식별자 및 물리적 특성
| CAS No. | 540-80-7 |
|---|---|
| 분자식 | C4H9NO2 |
| 평균 분자량 | 103.12 g/mol |
| 단동위원소 질량 | 103.06332853 g/mol |
| SMILES | CC(C)(C)ON=O |
| InChIKey | IOGXOCVLYRDXLW-UHFFFAOYSA-N |
| PubChem CID | 10906 |
| EC No. | 208-757-0 |
| DTXSID | DTXSID10202316 |
| 현지명 | tert-부틸나이트라이트 |
화학 및 물리적 성질
| XLogP | 1 |
|---|---|
| 극성 표면적 | 38.7 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 64.6 |
| 물질 분류 | Nitrogen Compounds -> Nitrates and Nitrites |
| Physical Description | Yellow liquid with an agreeable odor[Merck Index] Sweet odor[Alfa Aesar MSDS] |
| 끓는 점 | 61-63 °C(lit.) |
| 밀도 | 0.867 g/mL at 25 °C(lit.) |
| 증기압 | 13.466kPa at 25℃ |
| 굴절률 | n20/D 1.368(lit.) |
| 인화점 | −10 °F |
| 저장 조건 | 2-8°C |
| 용해도 | 알코올: 매우 용해됨(lit.) |
| 물리적 상태 | 액체 |
| 색상 | 맑은 노란색 |
| 용해도 | 약간 용해됨 |
| Merck | 14,1583 |
| BRN | 1209339 |
| 헨리 상수 | 7.9×10-3 mol/(m3Pa) at 25℃, Hilal et al. (2008) |
| InChI | 1S/C4H9NO2/c1-4(2,3)7-5-6/h1-3H3 |
| InChIKey | IOGXOCVLYRDXLW-UHFFFAOYSA-N |
| SMILES | CC(C)(C)ON=O |
| LogP(분배 계수) | 2.24 at 20℃ |
| NIST | (CH3)3CONO(540-80-7) |
화학적 성질
clear yellow liquid
안전 및 규제
| GHS 분류 | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P317, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| 규제 정보 | Status: Active Update: 27-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30024t-Butyl nitrite: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Causes cyanosis in inhalation lethal-concentration studies of miceCauses methemoglobinemia in oral lethal-dose studies of mice[RTECS] A mild skin and eye irritantMay induce methemoglobinemiaHarmful by ingestion and inhalation[Alfa Aesar MSDS] See n-Butyl nitrite and Isobutyl nitrite. |
| Hazard Classes and Categories | Flam. Liq. 2 (100%)Flammable liquid - category 2Flammable liquids - Category 2 |
| 유해 작용 | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| Toxicity Data | LC50 (mouse) = 10,852 ppm/1hr |
| 수질 위해 등급(WGK) | 1 |
| RTECS 번호 | RA0802000 |
| 운송 번호(UN) | UN 2351 3/PG 2 |
| 관세 코드 | 29209085 |
| 위험 문구(R) | 11-20/22 |
| 위험 표시 | F,Xn |
| 안전 문구(S) | 16-24-46 |
| 포장분류 | II |
| 위험 등급 | 3Acute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 2 |
| F 고인화성물질 | 8 |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
tert-Butyl nitrite is employed as a reagent for diazotization and nitrosation of alcohols, thiols, amines and cycloalkanes. It plays an important role in photocatalyzed conversion of aryl and heteroarylamines to selenides. It finds application in the preparation of aryl azides from aryl amines. It is also useful for radical multifunctionalization reactions of aliphatic alkenes and source of nitric oxide.
일반 설명
tert-Butyl nitrite (TBN) is an efficient NO source. TBN participates in photocatalyzed conversion of aryl- and heteroarylamines to selenides. It also participates in radical multifunctionalization reactions of aliphatic alkenes.