7-Quinolinecarboxaldehyde

HCID 4712255

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 49573-30-0
표준 SMILES: O=Cc1ccc2cccnc2c1
InChIKey: WINWAFCAQPFBQA-UHFFFAOYSA-N
분자식: C10H7NO
평균 분자량: 157.17 g/mol
단동위원소 질량: 157.05276385

이름 및 식별자

우선 이름: 7-Quinolinecarboxaldehyde
IUPAC: quinoline-7-carbaldehyde
영어명: Quinoline-7-carbaldehyde
분자식: C10H7NO
분자량: 157.17

이름 및 동의어

7-QuinolinecarboxaldehydeRefChem:547041678-473-3quinoline-7-carbaldehyde49573-30-07-FormylquinolineMFCD01366121DTXSID30405701STK397459CS-W010914AS-30662SY050688

이름 더 보기

Albb-005311AKOS B029383AKOS AUF01715AKOS BBS-00005340RARECHEM AK ML 05617-quinoline formaldehyde

Q0067EN300-669487-QUINOLINECARBALDEHYDEQUINOLINE-7-CARBOXALDEHYDEFT-0649348SCHEMBL401692SCHEMBL2012058SCHEMBL5748280

데이터베이스 식별자

CAS: 49573-30-0
PubChem CID: 4712255
DTXSID: DTXSID30405701
EC Number: 678-473-3
Nikkaji: J1.446.493J

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 30 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 169

물리화학적 성질

녹는점: 85 to · 85.0 to 88.0 °C
끓는 점: 314.3 · 314.3±15.0 °C(Predicted)
밀도: 1.223 · 1.223±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 톨루엔에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 3.06 · 3.06±0.14(Predicted)
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C10H7NO/c12-7-8-3-4-9-2-1-5-11-10(9)6-8/h1-7H
InChIKey: WINWAFCAQPFBQA-UHFFFAOYSA-N
SMILES: N1C2C(=CC=C(C=O)C=2)C=CC=1

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 3 reports by companies from 3 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)；Eye Irrit. 2 (100%)；STOT SE 3 (33.3%)

안전 데이터

wgk: WGK 3
HS 번호: 29334900
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도7-Quinolinecarbaldehyde is a reagent used in pharmaceutical synthesis, including Hepatitis C NS5A inhibitors as well as antitumor agents and benzothiazole Schiff bases.