2-퀴놀린카르보니트릴

Quinoline-2-carbonitrile

HCID 74031CAS 1436-43-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: N#Cc1ccc2ccccc2n1
InChIKey: WDXARTMCIRVMAE-UHFFFAOYSA-N
분자식: C10H6N2
평균 분자량: 154.17 g/mol
단동위원소 질량: 154.05309819

이름 및 식별자

우선 이름: Quinoline-2-carbonitrile
IUPAC: quinoline-2-carbonitrile
현지명: 2-퀴놀린카르보니트릴
영어명: Quinoline-2-carbonitrile
분자식: C10H6N2
분자량: 154.17

이름 및 동의어

Quinoline-2-carbonitrile1436-43-72-QuinolinecarbonitrileEINECS 215-865-1DTXSID00162475RefChem:872027DTXCID7084966215-865-1Quinaldonitrile2-CYANOQUINOLINEMFCD00134341Quinolinecarbonitrile

이름 더 보기

2-퀴놀린카르보니트릴2-퀴놀린카보나이트릴quinolin-2-carbonitrileQuinoline-2-CarbinitrileQuinoline-2-carbonitrile 97%2-Quinolinecarbonitrile ,97%QUINOLINE-2-CARBONITRILE ISO 9001：2015 REACH

2-cyano-quinolineSCHEMBL752262-Quinolinecarbonitrile, 97%PS-3663SY050270CS-0007614EU-0020129Q0099

데이터베이스 식별자

CAS: 1436-43-7、64850-00-6
PubChem CID: 74031
DTXSID: DTXSID00162475
EC Number: 215-865-1
Nikkaji: J45.083I

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 36.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 203

실험 및 물리화학적 성질

LogP1.6

물리화학적 성질

녹는점: 93 · 93-95 °C (lit.)
끓는 점: 160 °C · 160°C 23mm
밀도: 1.21 · 1.21
굴절률: 1.482 · 1.4820 (estimate)
인화점: 160 °C/23mm · 160°C/23mm
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): -0.56 · -0.56±0.40(Predicted)
색상: White to Orange to Green
수용성: 물에 불용성.
BRN: 115213 · 115213
InChI: 1S/C10H6N2/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H
InChIKey: WDXARTMCIRVMAE-UHFFFAOYSA-N
SMILES: N#Cc1ccc2ccccc2n1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
ridadr: 3439
HS 번호: 2933499090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36
포장분류: III
위험 등급: 6.1
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도Quinoline-2-carbonitrile is used to produce quinoline-2-carboxylic acid amide. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

일반 설명Mechanism of the photoinduced substitution reaction of 2-quinolinecarbonitrile in alcohols or ethers has been reported. Photoinitiated dimerization of 2-quinolinecarbonitrile in HCl-acidified 2-propanol/water has been investigated at 77K and 331K. Benzophenone-sensitization of 2-quinolinecarbonitrile has been reported to yield triazapentaphene.