Diethyl ((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphonate
기본 정보
- CAS
33512-26-4- 표준 SMILES
CCOP(=O)(CN1C(=O)c2ccccc2C1=O)OCC- InChIKey
IUZMHUAHKBHJFY-UHFFFAOYSA-N- 분자식
- C13H16NO5P
- 평균 분자량
- 297.24 g/mol
- 단동위원소 질량
- 297.07660961
이름 및 식별자
- 우선 이름
- Diethyl ((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphonate
- IUPAC
- 2-(diethoxyphosphorylmethyl)isoindole-1,3-dione
- 영어명
- Diethyl (phthalimidomethyl)phosphonate
- 분자식
- C13H16NO5P
- 분자량
- 297.24
이름 및 동의어
diethyl [(1,3-dihydro-1,3-dioxo-2h-isoindol-2-yl)methyl]phosphonateDiethyl ((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphonateRefChem:586970803-663-133512-26-4Diethyl (phthalimidomethyl)phosphonateDiethyl ((1,3-dioxoisoindolin-2-yl)methyl)phosphonate2-(diethoxyphosphorylmethyl)isoindole-1,3-dioneMFCD00134313(Phthalimidomethyl)phosphonic Acid Diethyl EsterDTXSID00365641AKOS005459883
이름 더 보기
LABOTEST-BB LT00452168Diethyl Phthalimidomethyl PhosphateDiethyl (phtalimidomethyl)phosphonateDiethyl(Phthalimidomethyl)phosphonate>Diethyl (phthalimide methyl) phosphonateDiethyl(phthalimidomethyl)phosphonate,97%Diethyl(phtalimidomethyl)phosphonate, 98+ %
diethyl [(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phosphonatediethyl [(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]phosphonate2-[(diethoxycarbonyl)methyl]benzo[c]azoline-1,3-dioneDiethyl (phthalimidomethyl)phosSCHEMBL1305927IUZMHUAHKBHJFY-UHFFFAOYSA-Ndiethyl phthalimidomethylphosphonateSBB057689
데이터베이스 식별자
- CAS
33512-26-4- PubChem CID
- 1924456
- DTXSID
DTXSID00365641- EC Number
- 803-663-1
- Nikkaji
- J534.150G
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 72.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 404
물리화학적 성질
- 녹는점
- 60 · 60-64 °C(lit.)
- 끓는 점
- 423.3 · 423.3±28.0 °C(Predicted)
- 밀도
- 1.312 · 1.312±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · Storage temp. 2-8°C
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- -2.49 · -2.49±0.20(Predicted)
- 색상
- 흰색에서 거의 흰색
- InChI
- InChI=1S/C13H16NO5P/c1-3-18-20(17,19-4-2)9-14-12(15)10-7-5-6-8-11(10)13(14)16/h5-8H,3-4,9H2,1-2H3
- InChIKey
- IUZMHUAHKBHJFY-UHFFFAOYSA-N
- SMILES
- P(CN1C(=O)C2=C(C1=O)C=CC=C2)(=O)(OCC)OCC
화학적 성질
WHITE TO OFF-WHITE CRYSTALLINE POWDER
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (97.5%)
안전 데이터
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- HS 번호
- 29337900
- risk_code
- 25
- hazard_code
- T
- safety_code
- 45-24/25
- 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
응용 분야
용도Reacant for:Horner-Wadsworth-Emmons reactionsPreparation of macrocyclic phosphorous acid analogs as inhibitors of HCV-NS3 proteaseSynthesis of dendrimer-based pH-responsive MRI contrast agent
상·하류 제품 정보
하류 제품
관련 반응
2건
화합물 노트
불러오는 중…