1,4- 비스 (디 페닐 포스 피노) 부탄

1,4-비스(디페닐포스피노)부탄 · DPPB · 1,4-di(diphenylphosphino)-butane · 1,4-BIS(DIPHENYLPHOSPHINE)BUTANE · 1,4-Bis(diphenylphosphanyl)butane · [4-(Diphenylphosphino)butyl](diphenyl)phosphine · TETRAMETHYLENEBIS(DIPHENYLPHOSPHINE) · 1,4-Bis(diphenylphosphino)butane, 98% 5GR

https://huagongshe.com/ko/chemical/82124

식별자 및 물리적 특성

CAS No.	7688-25-7
분자식	C28H28P2
평균 분자량	426.5 g/mol
단동위원소 질량	426.16662416 g/mol
SMILES	c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIKey	BCJVBDBJSMFBRW-UHFFFAOYSA-N
PubChem CID	82124
ChEMBL	CHEMBL71648
EC No.	231-698-7
DTXSID	DTXSID4064769
현지명	1,4- 비스 (디 페닐 포스 피노) 부탄

화학 및 물리적 성질

XLogP	6.6
극성 표면적	0
수소 결합 공여자 수	0
수소 결합 수용자 수	0
회전 가능 결합 수	9
무거운 원자 수	30
형식 전하	0
복잡도	362
물질 분류	Other Classes -> Phosphorus Compounds
SpringerMaterials Properties	Fusion temperature
Physical Description	White powder[MSDSonline]
녹는점	132-136 °C (lit.)
끓는 점	542.0±33.0 °C(Predicted)
저장 조건	Inert atmosphere,Room Temperature
물리적 상태	결정성 분말
색상	흰색에서 거의 흰색
용해도	클로로포름에 용해됩니다. 물에 약간 용해됨
BRN	706446
InChI	InChI=1S/C28H28P2/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22H,13-14,23-24H2
InChIKey	BCJVBDBJSMFBRW-UHFFFAOYSA-N
SMILES	P(CCCCP(C1C=CC=CC=1)C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1
NIST	1,4-Bis(diphenylphosphino)butane(7688-25-7)
EPA	Phosphine, 1,4-butanediylbis[diphenyl- (7688-25-7)

화학적 성질

1,4-Bis(diphenylphosphino)butane is a white solid that is soluble in organic solvents.

안전 및 규제

GHS 분류	WarningH302 (20.3%): Harmful if swallowed [Warning Acute toxicity, oral]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 69 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Phosphine, 1,4-butanediylbisdiphenyl-: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	A skin, eye, and respiratory tract irritant[MSDSonline]
Hazard Classes and Categories	Acute Tox. 4 (20.3%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
관세 코드	29319090
위험 문구(R)	36/38-36/37/38-11
위험 표시	Xi,F
안전 문구(S)	26-36-37/39-33-16-7/9
F 고인화성물질	10-23
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	11 - Combustible Solids

용도

1,4-Bis(diphenylphosphino)butane is used in Suzuki reaction. It plays an essential role as a ligand in palladium(0)-catalyzed acylcyanation of arylacetylenes and deprotection of allyloxycarbamates. It acts as a ligand for alkylations, isomerization reactions and in organometallic chemistry. Further, it is used in Heck reaction, Negishi coupling and Sonogashira coupling. In addition to this, it is useful in organometallic chemistry.