(트리페닐포스포라닐리덴)아세토니트릴

(Triphenylphosphoranylidene)acetonitrile

HCID 85524CAS 16640-68-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: N#CC=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey: APISVOVOJVZIBA-UHFFFAOYSA-N
분자식: C20H16NP
평균 분자량: 301.3 g/mol
단동위원소 질량: 301.10203614

이름 및 식별자

우선 이름: (Triphenylphosphoranylidene)acetonitrile
IUPAC: 2-(triphenyl-λ5-phosphanylidene)acetonitrile
현지명: (트리페닐포스포라닐리덴)아세토니트릴
영어명: (Triphenylphosphoranylidene)acetonitrile
분자식: C20H16NP
분자량: 301.32

이름 및 동의어

(Triphenylphosphoranylidene)acetonitrileEINECS 240-689-7DTXSID60168099NSC 135204RefChem:408578DTXCID0090590240-689-716640-68-92-(Triphenylphosphoranylidene)acetonitrile(Cyanomethylene)triphenylphosphoraneC20H16NP2-(triphenyl-lambda5-phosphanylidene)acetonitrile

이름 더 보기

(트리페닐포스포라닐리덴)아세토니트릴(트라이페닐포스포란일리덴)아세토나이트릴2-(triphenyl-l5-phosphanylidene)acetonitrile(Triphenylphosphine)carbonitrile(triphenylphosphine) acetonitrileTriphenyl(cyanomethylene)phosphoraneTriphenylphosphoranylidenacetonitrile

Acetonitrile, 2-(triphenylphosphoranylidene)-Acetonitrile, (triphenylphosphoranylidene)-MFCD00567633(Cyanomethyl)triphenylphosphonium-Cyanomethylene triphenylphosphorane(Triphenylphosphoranyl)acetonitrileCyanomethyltriphenylphosphonium ylideNSC-135204

데이터베이스 식별자

CAS: 16640-68-9
PubChem CID: 85524
DTXSID: DTXSID60168099
UNII: AP7LR5WB3X
EC Number: 240-689-7
Nikkaji: J1.700.350J、J82.530A

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 22
형식 전하: 0
복잡도: 387

물리화학적 성질

녹는점: 189 · 189-195 °C (lit.)
끓는 점: 465.3 · 465.3±28.0 °C(Predicted)
밀도: 1.16 · 1.16±0.1 g/cm3(Predicted)
인화점: 110 °C · >110°C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to crystal
색상: White to Orange to Green
InChI: InChI=1S/C20H16NP/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17H
InChIKey: APISVOVOJVZIBA-UHFFFAOYSA-N
SMILES: C(#N)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

화학적 성질

off-white to light yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1/PG III
HS 번호: 29319090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도(Triphenylphosphoranylidene)acetonitrile is a reactant in the synthesis of largazole analogues which displays potent cell growth inhibition and cytotoxicity. As well, is used in the synthesis of monoterpene derivatives against leukemia.