기본 정보
- CAS
4427-96-7- 표준 SMILES
C=CC1COC(=O)O1- InChIKey
BJWMSGRKJIOCNR-UHFFFAOYSA-N- 분자식
- C5H6O3
- 평균 분자량
- 114.1 g/mol
- 단동위원소 질량
- 114.03169405
이름 및 식별자
- 우선 이름
- 1,3-Dioxolan-2-one, 4-ethenyl-
- IUPAC
- 4-ethenyl-1,3-dioxolan-2-one
- 영어명
- 4-Vinyl-1,3-dioxolan-2-one
- 분자식
- C5H6O3
- 분자량
- 114.1
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
4427-96-7- PubChem CID
- 2735038
- DTXSID
DTXSID60883553- EC Number
- 700-261-7
- Nikkaji
- J770.330I
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 35.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 119
물리화학적 성질
- 끓는 점
- 237 °C/733 · 237 °C/733 mmHg (lit.)
- 밀도
- 1.188 g/mL · 1.188 g/mL at 25 °C (lit.)
- 증기압
- 4.58 Pa · 4.58Pa at 25℃
- 굴절률
- 20 · n20/D 1.45(lit.)
- 인화점
- 206 °F · 206 °F
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 액체
- 색상
- 무색 내지 거의 무색
- 수용성
- 물에 불용성.
- InChI
- InChI=1S/C5H6O3/c1-2-4-3-7-5(6)8-4/h2,4H,1,3H2
- InChIKey
- BJWMSGRKJIOCNR-UHFFFAOYSA-N
- SMILES
- O1CC(C=C)OC1=O
- LogP
- -0.24 at · -0.24 at 25℃ and pH6.5
- 표면장력
- 70.403 mN/m · 70.403mN/m at 1g/L and 20℃
- EPA
- 1 · 1,3-Dioxolan-2-one, 4-ethenyl- (4427-96-7)
화학적 성질
Colorless liquid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 19.7% (13 of 66) of reports.
Danger
H301 (80.3%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P270, P272, P280, P301+P316, P302+P352, P319, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 66 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 28-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/30074
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 2810 6.1/PG 3
- HS 번호
- 29209090
- risk_code
- 25
- hazard_code
- T
- safety_code
- 45
- 포장분류
- III
- 위험 등급
- 6.1
- 기존화학 물질
- KE-14-0055
- Hazard Classifications
- Acute Tox. 3 Oral
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
용도 및 제조
응용 분야
용도4-Vinyl-1,3-dioxolan-2-one may be used in the preparation of 2-arylbenzo[d]thiazole scaffolds.It may be used in the synthesis of the following multi-functional cyclic carbonates:4,4′-((hexane-1,6-diylbis(sulfanediyl))bis-(ethane-2,1-diyl))bis(1,3-dioxolan-2-one) (Bis-CC)2-ethyl-2-(((3-((2-(2-oxo-1,3-dioxolan-4-yl)-ethyl)thio)propanoyl)oxy) methyl)propane-1,3-diyl bis(3-((2-(2-oxo-1,3-dioxolan-4-yl)ethyl)thio)propanoate) (Tris-CC)2,2-bis(((3-((2-(2-oxo-1,3-dioxolan-4-yl)ethyl)-thio)propanoyl)oxy) methyl)propane-1,3-diyl bis(3-((2-(2-oxo-1,3-dioxolan-4-yl)ethyl)thio)propanoate) (Tetra-CC)
일반 설명4-Vinyl-1,3-dioxolan-2-one (VEC) is a cyclic carbonate, that can be synthesized from acrolein by reacting with sulfur ylide and CO2. The ruthenium-catalyzed transfer hydrogenation (TH) of VEC in the presence of 2-propanol forms 1,2-butanediol. Indolines and indoles undergo selective C-H allylation with VEC in the presence of rhodium(III) catalyst.
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