데이터를 보충하는 중입니다. 보통 1분 이내에 완료됩니다
기본 정보
- 표준 SMILES
O=C(O)C(CBr)CBr- InChIKey
QQZJWQCLWOQDQV-UHFFFAOYSA-N- 분자식
- C4H6Br2O2
- 평균 분자량
- 245.898 g/mol
- 단동위원소 질량
- 243.87345363
이름 및 식별자
- 우선 이름
- 3-Bromo-2-(bromomethyl)propionic acid
- IUPAC
- 3-Bromo-2-(bromomethyl)propanoic acid
- 영어명
- 3-Bromo-2-(bromomethyl)propionic acid
- 분자식
- C4H6Br2O2
- 분자량
- 245.9
이름 및 동의어
3-BROMO-2-(BROMOMETHYL)PROPANOIC ACID3-Bromo-2-(bromomethyl)3-Bromo-2-(bromomethyl)prβ,β'-dibromoisobutyric acidbis(bromomethyl)acetic acid3-Bromo-2-Bromomethyl PropionateBETA,BETA'-DIBROMOISOBUTYRIC ACID3-BROMO-2-(BROMOMETHYL)PROPIONIC ACIDPropanoic acid, 3-bromo-2-(bromomethyl)-3-Bromo-2-(bromomethyl)propionic acid 97%
데이터베이스 식별자
- CAS
41459-42-1- PubChem CID
- 318915
- DTXSID
DTXSID20312632- EC Number
- 609-928-6
- Nikkaji
- J1.662.049A
물성
물리화학적 성질
- 녹는점
- 98 · 98-101 °C(lit.)
- 끓는 점
- 286.7 · 286.7±30.0 °C(Predicted)
- 밀도
- 2.121 · 2.121±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · Inert atmosphere,2-8°C
- 용해도
- 아세트산에 용해됩니다.
- 물리적 상태
- 결정성 분말
- 산도 계수 (pKa)
- 3.33 · 3.33±0.11(Predicted)
- 색상
- 황백색에서 갈색까지
- BRN
- 1752505 · 1752505
- InChI
- InChI=1S/C4H6Br2O2/c5-1-3(2-6)4(7)8/h3H,1-2H2,(H,7,8)
- InChIKey
- QQZJWQCLWOQDQV-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C(CBr)CBr
- NIST
- 3 · Propionic acid, 3-bromo-2-(bromomethyl)-(41459-42-1)
화학적 성질
off-white to brown crystalline powder
안전 및 규제
안전 데이터
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- HS 번호
- 29159000
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- 포장분류
- III
- 위험 등급
- 8
- F 고인화성물질
- 8
- Hazard Classifications
- Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
응용 분야
용도3-Bromo-2-(bromomethyl)propionic acid acts as an organic building block for the preparation of beta-substituted acrylates. It is used in the preparation of t-butyl 2-(phenylthiomethyl) propenoate, t-butyl 3-(phenylthio)-2-(phenylthiomethyl)propenoate and 3-(phenylthio)-2-(phenyl-sulfinylmethyl)propenoate. Further, it plays an important role in the synthesis of beta-lactams by cyclization of the corresponding amide.
일반 설명3-Bromo-2-(bromomethyl)propionic acid reacts with alkaline arsenite to yield (RS)-3-arsono-2-(hydroxymethyl)propionic acid.
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