기본 정보
- CAS
3699-67-0- 표준 SMILES
CCOC(=O)CCP(=O)(OCC)OCC- InChIKey
JMJWCUOIOKBVNQ-UHFFFAOYSA-N- 분자식
- C9H19O5P
- 평균 분자량
- 238.22 g/mol
- 단동위원소 질량
- 238.09701034
이름 및 식별자
- 우선 이름
- Ethyl 3-(diethoxyphosphoryl)propanoate
- IUPAC
- ethyl 3-diethoxyphosphorylpropanoate
- 영어명
- Triethyl 3-phosphonopropionate
- 분자식
- C9H19O5P
- 분자량
- 238.22
이름 및 동의어
Ethyl 3-(diethoxyphosphoryl)propanoate3699-67-0DTXSID70299944RefChem:594734DTXCID40251079679-743-3InChI=1/C9H19O5P/c1-4-12-9(10)7-8-15(11,13-5-2)14-6-3/h4-8H2,1-3HTriethyl 3-phosphonopropionateethyl 3-diethoxyphosphorylpropanoate3-Diethylphosphonopropionic acid ethyl esterMFCD00015167Triethyl 3-phosphonopropanoate
이름 더 보기
NSC 133823AURORA KA-1469Ethyl 3-(diethoxyphosphoryl)RIETHYL 3-PHOSPHONOPROPIONATETriethyl3-phosphonopropionate,98%ETHYL 3-DIETHYLPHOSPHONOPROPIONATETriethyl 3-Phosphonopropionate >Ethyl 3-(diethylphosphono)propanoate
3-Phosphonopropionic Acid Triethyl EsterNSC133823ethyl 3-(diethyl phosphono)propanoateEthyl 3-(diethoxyphosphoryl)propanoate #D1524EN300-198336N11866ethyl 3-(diethoxycarbonyl)propanoate
데이터베이스 식별자
- CAS
3699-67-0- PubChem CID
- 281204
- DTXSID
DTXSID70299944- EC Number
- 679-743-3
- Nikkaji
- J149.311F
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 61.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 219
물리화학적 성질
- 끓는 점
- 123 · 123-124 °C3 mm Hg(lit.)
- 밀도
- 1.094 g/mL · 1.094 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.433(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- 투명한 액체
- 색상
- 무색 내지 거의 무색
- Specific Gravity
- 1.101 · 1.101.094
- BRN
- 1790966 · 1790966
- InChI
- 1S/C9H19O5P/c1-4-12-9(10)7-8-15(11,13-5-2)14-6-3/h4-8H2,1-3H3
- InChIKey
- JMJWCUOIOKBVNQ-UHFFFAOYSA-N
- SMILES
- CCOC(=O)CCP(=O)(OCC)OCC
화학적 성질
clear colorless liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Warning
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)
안전 데이터
- wgk
- 3
- HS 번호
- 29319000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 37/39-26
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도Reactant for synthesis of: Sulfonyl hydroxamate derivatives for use as inhibitors of class ii fructosediphosphate aldolaseImidazole glycerol phosphate dehydratase inhibitorsCompetitive N-methyl-D-aspartate antagonists with analgesic activityFarnesyl phosphonate derivatives of phenylalanine for inhibition of farnesyl protein transferaseReactant for condensation reactions with isobutyraldehyde
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