기본 정보
- 표준 SMILES
COP(=O)(CC(C)=O)OC- InChIKey
UOWIYNWMROWVDG-UHFFFAOYSA-N- 분자식
- C5H11O4P
- 평균 분자량
- 166.11 g/mol
- 단동위원소 질량
- 166.03949546
이름 및 식별자
- 우선 이름
- Dimethyl (2-oxopropyl)phosphonate
- IUPAC
- 1-dimethoxyphosphorylpropan-2-one
- 영어명
- Dimethyl acetylmethylphosphonate
- 분자식
- C5H11O4P
- 분자량
- 166.11
이름 및 동의어
Dimethyl (2-oxopropyl)phosphonate4202-14-6Dimethyl acetonylphosphonateDTXSID90194846EINECS 224-110-5RefChem:588087Dimethyl 2oxopropylphosphonateDTXCID30117337224-110-5Dimethyl acetylmethylphosphonateDimethyl 2-oxopropylphosphonate1-dimethoxyphosphorylpropan-2-one
이름 더 보기
DIMETHYL ACELABOTEST-BB LT00847718Dimethyl(2-oxopropyl)phosphDimethyl acetylmethylphosphoteDimethyl-(2-oxopropyl)phosphonatDimethyle(2-oxopropyl)phosphonate
MFCD00008769C5H11O4Pdimethyl(2-oxopropyl)phosphonate(2-Oxopropyl)phosphonic Acid Dimethyl EsterAcetonylphosphonic Acid Dimethyl EsterSCHEMBL107333Dimethyl-2-oxopropylphosphonateSTR03431
데이터베이스 식별자
- CAS
4202-14-6- PubChem CID
- 77872
- DTXSID
DTXSID90194846- EC Number
- 224-110-5
- Nikkaji
- J149.895I
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 52.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 157
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Organophosphates, Other
LogP0.86
Vapor Pressure0.07 [mmHg]
Physical DescriptionClear light yellow liquid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 끓는 점
- 76 · 76-79 °C3 mm Hg(lit.)
- 밀도
- 1.202 g/mL · 1.202 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.439(lit.)
- 인화점
- 200 °F · 200 °F
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- 혼합하기가 어렵습니다.
- 물리적 상태
- 액체
- 색상
- 투명한 무색~연한 갈색
- BRN
- 1766218 · 1766218
- InChI
- InChI=1S/C5H11O4P/c1-5(6)4-10(7,8-2)9-3/h4H2,1-3H3
- InChIKey
- UOWIYNWMROWVDG-UHFFFAOYSA-N
- SMILES
- P(CC(=O)C)(=O)(OC)OC
- NIST
- Dimethyl (2-oxopropyl)phosphonate(4202-14-6)
화학적 성질
CLEAR COLOURLESS TO LIGHT BROWN LIQUID
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Dimethyl methylphosphonate, Diisopropyl methylphosphonate, and Diethyl ethylphosphonate.
Hazard Classes and CategoriesAcute Tox. 4 (75%)
안전 데이터
- wgk
- 3
- HS 번호
- 29310095
- hazard_code
- Xi
- safety_code
- 23-24/25
- F 고인화성물질
- 10
- 위험 참고 사항
- Irritant
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도Dimethyl acetylmethylphosphonate is a Reagent used together with tosyl azide in a one-pot alkynylation of aldehydes.
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