1,3- 비스 (디 페닐 포스 피노) 프로판
1,3-Bis(diphenylphosphino)propane
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기본 정보
- CAS
6737-42-4- 표준 SMILES
c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1- InChIKey
LVEYOSJUKRVCCF-UHFFFAOYSA-N- 분자식
- C27H26P2
- 평균 분자량
- 412.4 g/mol
- 단동위원소 질량
- 412.15097482
이름 및 식별자
- 우선 이름
- 1,3-Bis(diphenylphosphino)propane
- IUPAC
- 3-diphenylphosphanylpropyl(diphenyl)phosphane
- 현지명
- 1,3- 비스 (디 페닐 포스 피노) 프로판
- 영어명
- 1,3-Bis(diphenylphosphino)propane
- 분자식
- C27H26P2
- 분자량
- 412.45
이름 및 동의어
1,3-Bis(diphenylphosphino)propane6737-42-4Phosphine, 1,3-propanediylbis[diphenyl-DPPP cpdPhosphine, 1,3-propanediylbis(diphenyl-44R56E2C68NSC-193753DTXSID0064464RefChem:72524DTXCID30448871,3-B(DPP)PPhosphine, 1,1'-(1,3-propanediyl)bis(1,1-diphenyl)-
이름 더 보기
1,3-비스(디페닐포스피노)프로판1,3-BIS(DIPHENYLPHOSPHINE)PROPANE1,3-Bis(diphenylphosphanyl)propane1,3-bis(diphenyphosphino)propaneBis(1,3-diphenylphosphino)propane98% DPPP1,3-Bis(diphenyLphosphino)propanePH2PCH2 CH2CH2PPH21,3-BIS(DIPHENYPHOSPHINO)
229-791-2DPPP3-diphenylphosphanylpropyl(diphenyl)phosphaneMFCD00003050Trimethylenebis(diphenylphosphine)[3-(diphenylphosphanyl)propyl]diphenylphosphanePropane-1,3-diylbis(diphenylphosphine)1,3-Propanediylbis(diphenylphosphine)
데이터베이스 식별자
- CAS
6737-42-4- PubChem CID
- 81219
- DTXSID
DTXSID0064464- ChEMBL
CHEMBL73394- UNII
- 44R56E2C68
- EC Number
- 229-791-2
- Nikkaji
- J208.099K
물성
구조 계산 물성보충 중
- XLogP
- 6.2
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 350
물리화학적 성질
- 녹는점
- 63 · 63-65 °C (lit.)
- 끓는 점
- 529.7 · 529.7±33.0 °C(Predicted)
- 인화점
- 235 °C · 235°C
- 저장 조건
- Inert atmosphere,Room Temperature
- 물리적 상태
- 과립 또는 분말
- 색상
- 흰색에서 밝은 노란색-베이지색
- 수용성
- 불용성
- BRN
- 2821785 · 2821785
- InChI
- InChI=1S/C27H26P2/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-12,14-21H,13,22-23H2
- InChIKey
- LVEYOSJUKRVCCF-UHFFFAOYSA-N
- SMILES
- P(C1C=CC=CC=1)(C1C=CC=CC=1)CCCP(C1C=CC=CC=1)C1C=CC=CC=1
- NIST
- 1 · 1,3-Bis(diphenylphosphino)propane(6737-42-4)
- EPA
- 1 · Phosphine, 1,3-propanediylbis[diphenyl- (6737-42-4)
화학적 성질
white to light yellow crystal powde
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (64.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (64.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (99.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (64.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (65.4%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 153 reports by companies from 12 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
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (64.7%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (64.7%)；Eye Irrit. 2 (100%)；STOT SE 3 (99.3%)；Aquatic Acute 1 (64.7%)；Aquatic Chronic 1 (65.4%)
규제 정보
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
화학 및 산업
용도 및 제조
General Manufacturing InformationPhosphine, 1,1'-(1,3-propanediyl)bis[1,1-diphenyl-: ACTIVE
응용 분야
개요청정:최소 98%；외관：백색 고체.
개요1,3-Bis(diphenylphosphino)propane is a ligand for metal-catalyzed substitution reactions of aryl and vinyl triflates, halides, and carbonates; carbonylation reactions; Grignard coupling; diene alkylation; macrocycle synthesis.
용도1,3-Bis(diphenylphosphino)propane is used as a bidentate ligand in coordination chemistry and form complex dichloro(1,3-bis(diphenylphosphino)propane)nickel by reacting with nickel(II) chloride. This complex is used as a catalyst for Kumada coupling reaction. It also acts as a ligand for palladium(II) catalysts which is useful for the co-polymerization of carbon monoxide and ethylene to get polyketones. Further, it is employed in palladium-catalyzed arylation under Heck reaction and Suzuki reaction. In addition to this, it serves as a catalyst for Negishi coupling and Sonogashira coupling reactions.
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