2,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo(3.3.3)undecane
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기본 정보
- CAS
331465-71-5- 표준 SMILES
CC(C)CN1CCN2CCN(CC(C)C)P1N(CC(C)C)CC2- InChIKey
WFHPXSHLCFHEIA-UHFFFAOYSA-N- 분자식
- C18H39N4P
- 평균 분자량
- 342.5 g/mol
- 단동위원소 질량
- 342.29123388
이름 및 식별자
- 우선 이름
- 2,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo(3.3.3)undecane
- IUPAC
- 2,8,9-tris(2-methylpropyl)-2,5,8,9-tetraza-1-phosphabicyclo[3.3.3]undecane
- 영어명
- 2,8,9-Tri-i-butyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane
- 분자식
- C18H39N4P
- 분자량
- 342.5
이름 및 동의어
2,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecaneTriisobutylazaphosphatraneTriisobutylproazaphosphatraneX79X7GNS8K2,8,9-Tris(2-methylpropyl)-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecaneTriisobutyl-verkade's superbase [MI]DTXSID904043762,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo(3.3.3)undecane2,8,9-Tris(2-methylpropyl)-2,5,8,9-tetraaza-1-phosphabicyclo(3.3.3)undecane2,5,8,9-Tetraaza-1-phosphabicyclo(3.3.3)undecane, 2,8,9-tris(2-methylpropyl)-4,6,11-Tris(2-methylpropyl)-1,4,6,11-tetraza-5-phosphabicyclo(3.3.3)undecaneRefChem:197476
이름 더 보기
2,8,9-TRIISOBUTYL-2,5,8,9-TETRA AZA-1-P&Tri-i-butyl-tetraaza-1-phosphabicyclo-undecane2,8 9-TRI-I-BUTYL-2,5,8 9-TETRAAZA-1-PHOSPHABICYCLO[3.3.3]UNDECANE2,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane 97%2,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane,97%2,8,9-Tri-i-butyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane,97%
DTXCID10355230TRIISOBUTYL-VERKADE'S SUPERBASE812-117-1331465-71-5TriisobutylphosphatraneMFCD038403472,8,9-tris(2-methylpropyl)-2,5,8,9-tetraza-1-phosphabicyclo[3.3.3]undecane2,8,9-tri-i-butyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane
데이터베이스 식별자
- CAS
331465-71-5- PubChem CID
- 4571243
- DTXSID
DTXSID90404376- UNII
- X79X7GNS8K
- EC Number
- 812-117-1
- Nikkaji
- J1.408.778H
물성
구조 계산 물성보충 중
- XLogP
- 4.2
- 극성 표면적
- 13 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 296
실험 및 물리화학적 성질
Ionization Efficiency
Positive
5.04
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
물리화학적 성질
- 끓는 점
- 397.4 · 397.4±41.0 °C(Predicted)
- 밀도
- 0.964 g/mL · 0.964 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.5020(lit.)
- 인화점
- 155 °F · 155 °F
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 산도 계수 (pKa)
- 8.9 · 8.90±0.20(Predicted)
- 물리적 상태
- 액체
- 색상
- 무색~황색으로 투명함
- InChI
- 1S/C18H39N4P/c1-16(2)13-20-10-7-19-8-11-21(14-17(3)4)23(20)22(12-9-19)15-18(5)6/h16-18H,7-15H2,1-6H3
- InChIKey
- WFHPXSHLCFHEIA-UHFFFAOYSA-N
- SMILES
- CC(C)CN1CCN2CCN(CC(C)C)P1N(CC2)CC(C)C
화학적 성질
Clear colorless to yellow 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]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
안전 데이터
- wgk
- 3
- ridadr
- UN1155 - class 3 - PG 1 - Diethyl ether
- HS 번호
- 29310099
- risk_code
- 36/37/38-67-66-22-19-11
- hazard_code
- F,Xn
- safety_code
- 26-36/37/39-16
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도Triisobutylazaphosphatrane is reported to be used as a catalyst for the preparation of biaryl and alkenylarenes via Stille cross-coupling reaction. It also acts a catalyst for the synthesis of α-aryl-substituted nitriles.
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