2-(Di-tert-butylphosphino)-2'-methyl-1,1'-biphenyl

HCID 2734937CAS 255837-19-5

기본 정보

표준 SMILES: Cc1ccccc1-c1ccccc1P(C(C)(C)C)C(C)(C)C
InChIKey: UJONYAVMBYXBJQ-UHFFFAOYSA-N
분자식: C21H29P
평균 분자량: 312.4 g/mol
단동위원소 질량: 312.20068792

이름 및 식별자

우선 이름: 2-(Di-tert-butylphosphino)-2'-methyl-1,1'-biphenyl
IUPAC: ditert-butyl-[2-(2-methylphenyl)phenyl]phosphane
영어명: 2-(Di-t-butylphosphino)-2'-methylbiphenyl
분자식: C21H29P
분자량: 312.43

이름 및 동의어

255837-19-5RefChem:4605412-(Di-tert-butylphosphino)-2'-methyl-1,1'-biphenylDi-tert-butyl(2'-methyl-[1,1'-biphenyl]-2-yl)phosphine2-(Di-tert-butylphosphino)-2'-methylbiphenyltBuMePhos2-DI-TERT-BUTYLPHOSPHINO-2'-METHYLBIPHENYL2-(DI-T-BUTYLPHOSPHINO)-2'-METHYLBIPHENYLMFCD03453047ditert-butyl-[2-(2-methylphenyl)phenyl]phosphane2-di-t-butylphosphino-2'-methylbiphenylC21H29P

이름 더 보기

tBuM98% tBuMePhostBuMePhos 97%

DI-TERT-BUTYL({2'-METHYL-[1,1'-BIPHENYL]-2-YL})PHOSPHANEt-Butyl MePhosdi-tert-butyl(2'-methylbiphenyl-2-yl)phosphineDi-tert-butyl(2'-methyl-[1,1'-biphenyl]-2-yl)phosphine;2-(Di-tert-butylphosphino)-2'-methylbiphenyltBuMePhos, 97%PHOSPHINE, BIS(1,1-DIMETHYLETHYL)(2'-METHYL[1,1'-BIPHENYL]-2-YL)-2-Di-t-butylphosphino-2'-methyl)-1,1'-biphenylSCHEMBL196673

데이터베이스 식별자

CAS: 255837-19-5
PubChem CID: 2734937
DTXSID: DTXSID30370586
EC Number: 607-748-2
Nikkaji: J1.270.935H

물성

구조 계산 물성

XLogP: 5.5
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 4
무거운 원자 수: 22
형식 전하: 0
복잡도: 332

물리화학적 성질

녹는점: 91 · 91-93 °C
끓는 점: 408 · 408.0±24.0 °C(Predicted)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 결정성 분말
색상: 하얀색
InChI: InChI=1S/C21H29P/c1-16-12-8-9-13-17(16)18-14-10-11-15-19(18)22(20(2,3)4)21(5,6)7/h8-15H,1-7H3
InChIKey: UJONYAVMBYXBJQ-UHFFFAOYSA-N
SMILES: P(C(C)(C)C)(C(C)(C)C)C1=CC=CC=C1C1=CC=CC=C1C

화학적 성질

White crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H413 (20%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, 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 5 reports by companies from 2 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. 2 (100%)；Aquatic Chronic 4 (20%)

안전 데이터

wgk: 3
tsca: No
HS 번호: 29319090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

개요2-(Di-t-butylphosphino)-2'-methylbiphenyl is a phosphine that has two functional groups, amide and aromatic hydrocarbon. The geometric isomers of this molecule are cis and trans. It can be used to diagnose reactions in a reaction vessel with mammalian cells. It also reacts with pyrazoles, triazoles and other molecules to form isomers at the 2 position of the biphenyl ring.

용도suzuki reaction