기본 정보
- 표준 SMILES
CCOP(=O)(CC(C)=O)OCC- InChIKey
RSAFKRSMGOSHRK-UHFFFAOYSA-N- 분자식
- C7H15O4P
- 평균 분자량
- 194.17 g/mol
- 단동위원소 질량
- 194.07079595
이름 및 식별자
- 우선 이름
- 1-Diethoxyphosphorylpropan-2-one
- IUPAC
- 1-diethoxyphosphorylpropan-2-one
- 영어명
- Diethyl (2-oxopropyl)phosphonate
- 분자식
- C7H15O4P
- 분자량
- 194.17
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1067-71-6- PubChem CID
- 14028
- DTXSID
DTXSID90147731- EC Number
- 682-094-9
- Nikkaji
- J584.455J
물성
구조 계산 물성
- XLogP
- 0
- 극성 표면적
- 52.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 180
물리화학적 성질
- 끓는 점
- 126 °C9 · 126 °C9 mm Hg(lit.)
- 밀도
- 1.01 g/mL · 1.01 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.433(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 테트라히드로푸란, 에테르, 디클로로메탄 및 클로로포름과 혼합 가능.
- 물리적 상태
- 액체
- 색상
- 무색투명~연황색
- InChI
- InChI=1S/C7H15O4P/c1-4-10-12(9,11-5-2)6-7(3)8/h4-6H2,1-3H3
- InChIKey
- RSAFKRSMGOSHRK-UHFFFAOYSA-N
- SMILES
- P(CC(=O)C)(=O)(OCC)OCC
화학적 성질
CLEAR COLORLESS TO LIGHT YELLOW LIQUID
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Danger
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (33.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 3 reports by companies.;There are 2 notifications provided by 2 of 3 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
안전 데이터
- wgk
- 3
- HS 번호
- 29319090
- safety_code
- 24/25
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도Diethyl (2-Oxopropyl)phosphonate, is used in the preparation of enantipure acetoxyalkanephosphonates thru dynamic enzymic kinetic resolution alpha- and beta-hydroxalkanephosphonates.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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