Diethyl (3-bromopropyl)phosphonate
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기본 정보
- CAS
1186-10-3- 표준 SMILES
CCOP(=O)(CCCBr)OCC- InChIKey
PEIKTSJIUKYDPC-UHFFFAOYSA-N- 분자식
- C7H16BrO3P
- 평균 분자량
- 259.08 g/mol
- 단동위원소 질량
- 258.00204
이름 및 식별자
- 우선 이름
- Diethyl (3-bromopropyl)phosphonate
- IUPAC
- 1-bromo-3-diethoxyphosphorylpropane
- 영어명
- Diethyl(3-bromopropyl)phosphonate
- 분자식
- C7H16BrO3P
- 분자량
- 259.08
이름 및 동의어
diethyl (3-bromopropyl)phosphonateRefChem:587016805-814-71186-10-3Diethyl 3-BromopropylphosphonateDiethyl(3-bromopropyl)phosphonate1-bromo-3-diethoxyphosphorylpropaneMFCD00800966(3-Bromopropyl)phosphonic acid diethyl esterNSC 1383451-bromo-3-diethoxyphosphoryl-propaneC7H16BrO3P
이름 더 보기
phosphonateDiethyl (3-bromoprop-1-yl)phosphonateDiethyl (3-bromopropyl)DIETHOXY 3-BROMOPROPYLPHOSPHINEDiethyl(3-Bromopropyl)phosphonate>
diethyl 3-bromopropanphosphonateCS-W012527AS-10528EN300-97141AMY42222Phosphonic acid, (3-bromopropyl)-, diethyl esterNSC138345A893087
데이터베이스 식별자
- CAS
1186-10-3- PubChem CID
- 283500
- DTXSID
DTXSID50300688- ChEBI
CHEBI:188792- EC Number
- 805-814-7
- Nikkaji
- J1.238.276F
물성
구조 계산 물성보충 중
- XLogP
- 1.3
- 극성 표면적
- 35.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 142
물리화학적 성질
- 끓는 점
- 94 · 94-95 °C/2 mmHg (lit.)
- 밀도
- 1.348 g/mL · 1.348 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.4620(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 아세톤, 클로로포름, 에탄올, 에틸아세테이트, 메탄올에 용해됨
- 물리적 상태
- 무색 액체
- 색상
- 무색~연황색
- InChI
- InChI=1S/C7H16BrO3P/c1-3-10-12(9,11-4-2)7-5-6-8/h3-7H2,1-2H3
- InChIKey
- PEIKTSJIUKYDPC-UHFFFAOYSA-N
- SMILES
- P(CCCBr)(=O)(OCC)OCC
화학적 성질
Colourless Liquid
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (66.7%)
안전 데이터
- wgk
- 3
- HS 번호
- 29319000
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도Reactant for synthesis of: Hybrid assembly composed of titanium dioxide nanoparticles and thin multi-walled carbon nanotubesOrganosoluble zirconium phosphonate nanocomposites for asymmetric hydrogenationCyclic hydroxamic acids via alkylation followed by intramolecular cyclizationpH-responsive cyclopolymerReactant for: Homogenization of zirconium hydroxide phosphonate supported ruthenium catalystReactions with sodium imidazolide
관련 반응
56건
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