기본 정보
- CAS
40635-67-4- 표준 SMILES
CC(=O)OC(C)(C)C(=O)Br- InChIKey
OOKAXSHFTDPZHP-UHFFFAOYSA-N- 분자식
- C6H9BrO3
- 평균 분자량
- 209.04 g/mol
- 단동위원소 질량
- 207.97351
이름 및 식별자
- 우선 이름
- 1-Bromocarbonyl-1-methylethyl acetate
- IUPAC
- (1-bromo-2-methyl-1-oxopropan-2-yl) acetate
- 현지명
- 2-아세톡시-2-메틸프로피오닐브로마이드
- 영어명
- 2-Acetoxy-2-methylpropionyl bromide
- 분자식
- C6H9BrO3
- 분자량
- 209.04
이름 및 동의어
1-Bromocarbonyl-1-methylethyl acetatePropanoyl bromide, 2-(acetyloxy)-2-methyl-RefChem:430732629-266-140635-67-42-Acetoxyisobutyryl bromide2-Acetoxy-2-methylpropionyl bromide2-Acetoxyisobutyrylbromide(1-bromo-2-methyl-1-oxopropan-2-yl) acetate1-BROMO-2-METHYL-1-OXOPROPAN-2-YL ACETATEalpha-Acetoxyisobutyryl bromide2-(Acetyloxy)-2-methylpropanoyl bromide
이름 더 보기
2-아세톡시-2-메틸프로피오닐브로마이드AIBB2-ACETOXYISOBUYRYL BROMIDEAcetoxy-iso-butyrylbromideα-Acetoxy-isobutyryl bromideACETOXYISOBUTYRIC ACID BROMIDEALPHA ACETOXYISOBUTRYL BROMIDEtoxy-2-methylpropionyl bromide
A-ACETOXYISOBUTYRYL BROMIDEMFCD00040923(2-bromo-1,1-dimethyl-2-oxo-ethyl) acetateSCHEMBL317990DTXSID50369215AKOS015900486alpha-Acetoxyisobutyrl bromide (AIBB)AS-77140
데이터베이스 식별자
- CAS
40635-67-4- PubChem CID
- 2724715
- DTXSID
DTXSID50369215- EC Number
- 629-266-1
- Nikkaji
- J319.662C
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 43.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 162
물리화학적 성질
- 끓는 점
- 75 · 75-77 °C12 mm Hg(lit.)
- 밀도
- 1.431 g/mL · 1.431 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.457
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름, 메탄올에 용해됨
- 물리적 상태
- 액체
- 색상
- Clear, pale yellow
- BRN
- 2432585 · 2432585
- InChI
- 1S/C6H9BrO3/c1-4(8)10-6(2,3)5(7)9/h1-3H3
- InChIKey
- OOKAXSHFTDPZHP-UHFFFAOYSA-N
- SMILES
- CC(=O)OC(C)(C)C(Br)=O
화학적 성질
light yellow clear liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationChemical: Propanoyl bromide, 2-(acetyloxy)-2-methyl-
Hazard Classes and CategoriesSkin Corr. 1B (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- HS 번호
- 29181980
- risk_code
- 14-34-37
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- 포장분류
- II
- 위험 등급
- 8
- F 고인화성물질
- 10-19
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1BSTOT SE 3
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
응용 분야
용도1-Bromocarbonyl-1-methylethyl acetate (α-Acetoxyisobutyryl bromide) may be used:in the chemoenzymatic synthesis of (1R,2S)-1,2-epoxy-1,2-dihydroacridine (acridine 1,2-oxide)in the synthesis of protected 3′-deoxyadenosine and 3′-deoxyguanosine as reagent for deoxygenation of vicinal diols, as well as in the preparation of 2′,3′-dideoxycytidine and other dideoxy and deoxynucleosides from the corresponding ribo series.
일반 설명1-Bromocarbonyl-1-methylethyl acetate (α-Acetoxyisobutyryl bromide) participates in the conversion of adenosine to trans-3′(2′)-bromo-2′(3′)-acetates, via glycosyl cleavage.
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