Tert-Butyl nitrite (HCID 10906)

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 물성

XLogP: 1
극성 표면적: 38.7 Å²
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

GHS 분류

GHS Classification · 6건

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 · 2건

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 · 1건

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 · 4건

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 · 2건

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.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海炎泽化工有限公司15345144255 19975051755 · [email protected]

연결된 노트

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tert-부틸나이트라이트

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