퀴놀린-6-카르보니트릴

Quinoline-6-carbonitrile

HCID 592995CAS 23395-72-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: N#Cc1ccc2ncccc2c1
InChIKey: NIFLNJLWZZABMI-UHFFFAOYSA-N
분자식: C10H6N2
평균 분자량: 154.17 g/mol
단동위원소 질량: 154.0530982

이름 및 식별자

우선 이름: Quinoline-6-carbonitrile
IUPAC: quinoline-6-carbonitrile
현지명: 퀴놀린-6-카르보니트릴
영어명: quinoline-6-carbonitrile
분자식: C10H6N2
분자량: 154.17

이름 및 동의어

quinoline-6-carbonitrile23395-72-4DTXSID60343900RefChem:1097878DTXCID502949776-Cyanoquinoline6-QuinolinecarbonitrileMFCD099995436-Cyano quinoline6-Quinolinecarbonitrile #SCHEMBL506632AKOS005256934

이름 더 보기

퀴놀린-6-카르보니트릴Benzaldehyde,3,4-dichloro-5-hydroxy-

FS-2824SB35812CS-0019004EN300-42062Quinolin-6-carbonitrileFT-0647923A878254orb3023533

데이터베이스 식별자

CAS: 23395-72-4
PubChem CID: 592995
DTXSID: DTXSID60343900
EC Number: 806-190-9
Nikkaji: J1.410.224H

물성

구조 계산 물성

XLogP: 1.9
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

물리화학적 성질

녹는점: 133 · 133-134℃ (methanol )
끓는 점: 323.7 · 323.7±15.0 °C(Predicted)
밀도: 1.21 · 1.21±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 3.5 · 3.50±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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.