기본 정보
- CAS
176325-83-0- 표준 SMILES
CP(C)(C)=CC#N- InChIKey
KJFJIEHJCVSAKJ-UHFFFAOYSA-N- 분자식
- C5H10NP
- 평균 분자량
- 115.11 g/mol
- 단동위원소 질량
- 115.05508595
이름 및 식별자
- 우선 이름
- Cyanomethylenetrimethylphosphorane
- IUPAC
- 2-(trimethyl-λ5-phosphanylidene)acetonitrile
- 영어명
- Cyanomethylenetrimethylphosphorane solution
- 분자식
- C5H10NP
- 분자량
- 115.11
이름 및 동의어
CYANOMETHYLENETRIMETHYLPHOSPHORANE176325-83-0DTXSID70454879RefChem:334884DTXCID604056982-(trimethyl-lambda5-phosphanylidene)acetonitrileAcetonitrile, 2-(trimethylphosphoranylidene)-2-(trimethylphosphoranylidene)acetonitrileSCHEMBL563012KJFJIEHJCVSAKJ-UHFFFAOYSA-N(cyanomethylene)trimethylphosphorane(Trimethyl-lambda~5~-phosphanylidene)acetonitrile
이름 더 보기
(Trimethylphosphoranylidene)acetonitrileCyanomethylenetrimethylphosphorane solution2-(trimethyl-$l^{5}-phosphanylidene)acetonitrile(Trimethylphosphoranylidene)acetonitrile solution(Trimethylphosphoranylidene)acetonitrile solution 0.5 M in THF5-bromo-7-((1r,4r)-4-((tert-butyldimethylsilyl)oxy)cyclohexyl)-2-chloro-7H-pyrrolo[2,3-d]pyrimidine
데이터베이스 식별자
- CAS
176325-83-0- PubChem CID
- 11094579
- DTXSID
DTXSID70454879- EC Number
- 694-697-4
- Nikkaji
- J1.882.896K、J726.654E
물성
구조 계산 물성
- XLogP
- -0.8
- 극성 표면적
- 23.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 134
물리화학적 성질
- 녹는점
- 57 · 57-62 °C(Solv: benzene (71-43-2))
- 끓는 점
- 173 · 173.0±23.0 °C(Predicted)
- 밀도
- 0.896 g/mL · 0.896 g/mL at 25 °C
- 인화점
- -21 °C · -21.0 °C - closed cup
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- liquid
- InChI
- 1S/C5H10NP/c1-7(2,3)5-4-6/h5H,1-3H3
- InChIKey
- KJFJIEHJCVSAKJ-UHFFFAOYSA-N
- SMILES
- CP(C)(C)=CC#N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 2056 3 / PGII
- risk_code
- 11-19-22-36/37-40
- hazard_code
- F,Xn
- safety_code
- 16-26-36/37
- Hazard Classifications
- Acute Tox. 4 OralCarc. 2Eye Irrit. 2Flam. Liq. 2STOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
응용 분야
일반 설명(Trimethylphosphoranylidene)acetonitrile is a reagent generally employed in the Wittig olefination of less reactive carboxylic acid compounds like esters, N-Boc lactams, lactones, and imides to give α,β-unsaturated nitriles. It is also used as an alternate reagent for Mitsonobu reaction by replacing DEAD/PPh3 for the alkylation of C-H and N-H bonds.
공급사12 곳
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
新乡市润宇新材料科技有限公司+86-13592593621; +86-16627710726 · [email protected]
武汉英诺川生物科技有限公司18502785028 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
新乡市润宇新材料科技有限公司03737759608 15690792173 · [email protected]
南京健傲医药科技有限公司
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