2-OXO-1,2-DIHYDRO-3-퀴놀린탄소니트릴

2-Oxo-1,2-dihydroquinoline-3-carbonitrile

HCID 2764577

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 36926-82-6
표준 SMILES: N#Cc1cc2ccccc2[nH]c1=O
InChIKey: WNRMLIGSXULUPQ-UHFFFAOYSA-N
분자식: C10H6N2O
평균 분자량: 170.17 g/mol
단동위원소 질량: 170.04801282

이름 및 식별자

우선 이름: 2-Oxo-1,2-dihydroquinoline-3-carbonitrile
IUPAC: 2-oxo-1H-quinoline-3-carbonitrile
현지명: 2-OXO-1,2-DIHYDRO-3-퀴놀린탄소니트릴
영어명: 2-Oxo-1,2-dihydro-3-quinolinecarbonitrile
분자식: C10H6N2O
분자량: 170.17

이름 및 동의어

36926-82-62-oxo-1,2-dihydroquinoline-3-carbonitrileDTXSID60377508RefChem:477630DTXCID20328536824-395-12-oxo-1H-quinoline-3-carbonitrile2-OXO-1,2-DIHYDRO-3-QUINOLINECARBONITRILE3-Quinolinecarbonitrile, 1,2-dihydro-2-oxo-MFCD021759362-oxohydroquinoline-3-carbonitrile3-cyano-2(1H)-quinolinone

이름 더 보기

2-OXO-1,2-DIHYDRO-3-퀴놀린탄소니트릴3-CYANOQUINOLIN-2-ONE2-Oxo-1,2-dihydro-3-quinolinecarbonirile1,2-Dihydro-2-oxoquinoline-3-carbonitrile3-Quinolinecarbonitrile,1,2-dihydro-2-oxo-2-OXO-1,2-DIHYDRO-QUINOLINE-3-CARBONITRILE

3-cyanoquinolin-2(1h)-one3-cyano-2-[1H]-quinoloneSCHEMBL1903750SCHEMBL6071693SCHEMBL29890500WNRMLIGSXULUPQ-UHFFFAOYSA-NLBA92682SBB068681

데이터베이스 식별자

CAS: 36926-82-6
PubChem CID: 2764577
DTXSID: DTXSID60377508
EC Number: 824-395-1
Nikkaji: J928.393E

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 52.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 13
형식 전하: 0
복잡도: 310

물리화학적 성질

녹는점: 314 · 314-318
끓는 점: 402.8 · 402.8±45.0 °C(Predicted)
밀도: 1.32 · 1.32±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 9.73 · 9.73±0.70(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 2 reports by companies from 1 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.