2-Chloro-6-methoxyquinoline-3-carbaldehyde

HCID 689079

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 73568-29-3
표준 SMILES: COc1ccc2nc(Cl)c(C=O)cc2c1
InChIKey: TZQOMBXDCIPJKW-UHFFFAOYSA-N
분자식: C11H8ClNO2
평균 분자량: 221.64 g/mol
단동위원소 질량: 221.0243562

이름 및 식별자

우선 이름: 2-Chloro-6-methoxyquinoline-3-carbaldehyde
IUPAC: 2-chloro-6-methoxyquinoline-3-carbaldehyde
영어명: 2-Chloro-6-methoxyquinoline-3-carbaldehyde
분자식: C11H8ClNO2
분자량: 221.64

이름 및 동의어

2-chloro-6-methoxyquinoline-3-carbaldehyde73568-29-32-Chloro-6-methoxyquinoline-3-carboxaldehydeDTXSID10351035RefChem:469678DTXCID50302102626-712-72-Chloro-6-methoxy-3-quinolinecarboxaldehydeMFCD001605853-Quinolinecarboxaldehyde, 2-chloro-6-methoxy-Oprea1_4311292-chloro-6-methoxy-3-quinolinecarbaldehyde

이름 더 보기

SBB000610ZINC00058230493996_ALDRICHAKOS AU36-M573ASISCHEM T87168AKOS BBS-00007299RARECHEM AK VD 0016TIMTEC-BB SBB000610

2-chloro-6-methoxy-quinoline-3-carbaldehydeSTK794942SB68778CS-0199785EN300-169482-Chloro-3-formyl-6-methoxyquinolineOprea1_295155orb3022559

데이터베이스 식별자

CAS: 73568-29-3
PubChem CID: 689079
DTXSID: DTXSID10351035
ChEMBL: CHEMBL4514847
EC Number: 626-712-7
Nikkaji: J1.114.389J

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 39.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 237

물리화학적 성질

녹는점: 149 · 149-151 °C(lit.)
끓는 점: 373.9 · 373.9±37.0 °C(Predicted)
밀도: 1.348 · 1.348±0.06 g/cm3(Predicted)
인화점: -9 ° · -9°(16°F)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -1.29 · -1.29±0.50(Predicted)
수용성: 물에 불용성.
InChI: 1S/C11H8ClNO2/c1-15-9-2-3-10-7(5-9)4-8(6-14)11(12)13-10/h2-6H,1H3
InChIKey: TZQOMBXDCIPJKW-UHFFFAOYSA-N
SMILES: [H]C(=O)c1cc2cc(OC)ccc2nc1Cl

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 44 reports by companies from 4 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 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도Mainly used as solvents. They are used in intermediate steps for the production of paints, plastics, synthetic resins, and dyes. They are also used in the manufacture of perfumes, solvents, and flavorings. As raw material in organic synthesis.

일반 설명2-Chloro-6-methoxy-3-quinolinecarboxaldehyde is a substituted quinolinecarboxaldehyde.