Bromodifluoromethyl diethylphosphonate
기본 정보
- CAS
65094-22-6- 표준 SMILES
CCOP(=O)(OCC)C(F)(F)Br- InChIKey
QRADKVYIJIAENZ-UHFFFAOYSA-N- 분자식
- C5H10BrF2O3P
- 평균 분자량
- 267.01 g/mol
- 단동위원소 질량
- 265.9519
이름 및 식별자
- 우선 이름
- Bromodifluoromethyl diethylphosphonate
- IUPAC
- 1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane
- 영어명
- Diethyl bromodifluoromethanephosphonate
- 분자식
- C5H10BrF2O3P
- 분자량
- 267.01
이름 및 동의어
65094-22-6Diethyl (bromodifluoromethyl)phosphonateBromodifluoromethyl diethylphosphonateDTXSID40215398RefChem:570343DTXCID40137889671-628-6diethyl bromodifluoromethanephosphonatediethyl bromodifluoromethylphosphonate1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethaneC5H10BrF2O3PMFCD00069118
이름 더 보기
Diethyl P-(bromodifluoromethyl)phosphonateDiethyl bromodifluoromethanephosphonatBromodifluoromethyldiethylphosphonate97%Bromodifluoromethyl diethylphosphonate 97%Diethyl (Bromodifluoromethyl)phosphonate >Diethyl [bromo(difluoro)methyl]phosphonate 97%
(bromodifluoromethyl)phosphonic acid diethyl ester1-[[bromo(difluoro)methyl]-ethoxy-phosphoryl]oxyethanebromodifluoromethane diethyl phosphatediethyl(bromodifluoromethyl)phosphonatePhosphonic acid, (bromodifluoromethyl)-, diethyl esterSCHEMBL263167diethyl[bromo(difluoro)methyl]phosphonate(bromodifluoromethyl)diethoxyphosphino-1-one
데이터베이스 식별자
- CAS
65094-22-6- PubChem CID
- 144101
- DTXSID
DTXSID40215398- ChEMBL
CHEMBL5181377- EC Number
- 671-628-6
- Nikkaji
- J519.139D
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 35.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 178
실험 및 물리화학적 성질
SpringerMaterials Properties31P nuclear magnetic resonance spectrum
물리화학적 성질
- 끓는 점
- 40 · 40-41 °C/0.05 mmHg (lit.)
- 밀도
- 1.503 g/mL · 1.503 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.417(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 클로로포름, 에틸아세테이트에 용해됨
- 물리적 상태
- 액체
- Specific Gravity
- 1.503 · 1.503
- 색상
- 무색의
- 수용성
- 물에 섞이거나 혼합하기 어렵지 않습니다.
- BRN
- 1944045 · 1944045
- InChI
- InChI=1S/C5H10BrF2O3P/c1-3-10-12(9,11-4-2)5(6,7)8/h3-4H2,1-2H3
- InChIKey
- QRADKVYIJIAENZ-UHFFFAOYSA-N
- SMILES
- P(=O)(OCC)(OCC)C(F)(F)Br
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): 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 11 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationREACH registered substance: diethyl (bromodifluoromethyl)phosphonate (EC: 671-628-6)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- No
- ridadr
- 3278
- HS 번호
- 29319090
- risk_code
- 21/22-36/38-38-36
- hazard_code
- Xi
- safety_code
- 26-36/37/39-60-37-23
- 포장분류
- III
- 위험 등급
- IRRITANT, IRRITANT-HARMFUL
- 위험 참고 사항
- Irritant
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도Efficient difluoroalkylation of aryl boronic acids via palladium catalysis. Novel, moisture-stable bromodifluoromethylated phosphonate, ester, and amide. Efficient coupling with aryl boronic acids via Pd catalysis.
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