tert-부틸나이트라이트
Tert-Butyl nitrite
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기본 정보
- CAS
540-80-7- 표준 SMILES
CC(C)(C)ON=O- InChIKey
IOGXOCVLYRDXLW-UHFFFAOYSA-N- 분자식
- C4H9NO2
- 평균 분자량
- 103.12 g/mol
- 단동위원소 질량
- 103.06332853
이름 및 식별자
- 우선 이름
- Tert-Butyl nitrite
- IUPAC
- tert-butyl nitrite
- 현지명
- tert-부틸나이트라이트
- 영어명
- tert-Butyl nitrite
- 분자식
- C4H9NO2
- 분자량
- 103.12
이름 및 동의어
tert-Butyl nitrite540-80-71,1-Dimethylethyl nitriteNitrous acid, 1,1-dimethylethyl esterNitrous Acid tert-Butyl EsterCCRIS 2098alpha,alpha-Dimethylethyl nitriteNITROUS ACID, t-BUTYL ESTEREINECS 208-757-0(CH3)3CONOUNII-4780H7U8LUBRN 1209339
이름 더 보기
tert-부틸나이트라이트tBuoNoT-BUTYL NITRITEt-BuNO2t-butyl esterTertiary butyl nitritetert-Butyl nitrite 90%2-methyl-2-nitritopropane2-Methyl-2-nitrosooxy-propaneert-buty nitritet-Buthyl nitrite
4780H7U8LU.alpha.,.alpha.-Dimethylethyl nitriteNitrous acid 1,1-dimethyl ethyl esterTERT-BUTYL NITRITE [MI]IOGXOCVLYRDXLW-UHFFFAOYSA-DTXSID102023164-01-00-01622 (Beilstein Handbook Reference)NITROUS ACID, TERT-BUTYL ESTER
데이터베이스 식별자
- CAS
540-80-7- PubChem CID
- 10906
- DTXSID
DTXSID10202316- UNII
- 4780H7U8LU
- EC Number
- 208-757-0
- Nikkaji
- J6.388F
물성
구조 계산 물성보충 중
- XLogP
- 1
- 극성 표면적
- 38.7 Ų
- 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
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Nitrates and Nitrites
Physical DescriptionYellow liquid with an agreeable odor; [Merck Index] Sweet odor; [Alfa Aesar MSDS]
물리화학적 성질
- 끓는 점
- 61 · 61-63 °C(lit.)
- 밀도
- 0.867 g/mL · 0.867 g/mL at 25 °C(lit.)
- 증기압
- 13.466 kPa · 13.466kPa at 25℃
- 굴절률
- 20 · n20/D 1.368(lit.)
- 인화점
- 10 °F · −10 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 알코올: 매우 용해됨(lit.)
- 물리적 상태
- 액체
- 색상
- 맑은 노란색
- 수용성
- 약간 용해됨
- Merck
- 14 · 14,1583
- BRN
- 1209339 · 1209339
- Henry's Law Constant
- 7.9 · 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
- 2.24 at · 2.24 at 20℃
- NIST
- 3 · (CH3)3CONO(540-80-7)
화학적 성질
clear yellow liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H225: 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)
Danger
H225 (100%): 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)
유해성 정보
Regulatory Information
Status: Active Update: 27-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30024
t-Butyl nitrite: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes cyanosis in inhalation lethal-concentration studies of mice; Causes methemoglobinemia in oral lethal-dose studies of mice; [RTECS] A mild skin and eye irritant; May induce methemoglobinemia; Harmful 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 2
Flammable liquids - Category 2
Flam. Liq. 2
독성 정보
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Toxicity DataLC50 (mouse) = 10,852 ppm/1hr
안전 데이터
- wgk
- 1
- rtecs
- RA0802000
- ridadr
- UN 2351 3/PG 2
- HS 번호
- 29209085
- risk_code
- 11-20/22
- hazard_code
- F,Xn
- safety_code
- 16-24-46
- 포장분류
- II
- 위험 등급
- 3
- F 고인화성물질
- 8
- Hazard Classifications
- Acute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 2
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
UsesUsed as a jet propellant; [Merck Index]
응용 분야
용도tert-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 설명tert-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.
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