4-Methoxy-2-quinolinecarboxylic acid (HCID 594596)

이름 및 식별자

우선 이름: 4-Methoxy-2-quinolinecarboxylic acid
IUPAC: 4-methoxyquinoline-2-carboxylic acid
영어명: 4-METHOXY-2-QUINOLINECARBOXYLIC ACID
분자식: C11H9NO3
분자량: 203.19

이름 및 동의어

15733-83-24-Methoxy-2-quinolinecarboxylic acidRefChem:524557626-658-44-methoxyquinoline-2-carboxylic acid2-Quinolinecarboxylic acid, 4-methoxy-MFCD00012336Oprea1_599887SMR000037045CHEMBL51773MLS0000807664-methoxyquinoline-2-carboxylicacid

이름 더 보기

SKL593TIMTEC-BB SBB000418LABOTEST-BB LT004520624-Methoxyquinoline-2-carboxylicaci4-Methoxy-2-quinolinecarboxylic acid 95%4-METHOXY-2-QUINOLINECARBOXYLIC ACID, 97+%4-METHOXY-2-QUINOLINECARBOXYLIC ACID, 95 %

4-Methoxy-quinoline-2-carboxylic acidSB714834-Methoxy-2-quinolinecarboxylic acid, 95%CS-00638172-carboxy-4-4-Methoxyquinaldic acid4-METHOXY-2-QUINOLINECARBOXYLICACID2-carboxy-4-methoxyquinoline

데이터베이스 식별자

CAS: 15733-83-2
PubChem CID: 594596
DTXSID: DTXSID20344130
ChEMBL: CHEMBL51773
EC Number: 626-658-4
Nikkaji: J307.672E

물성

구조 계산 물성

XLogP: 2
극성 표면적: 59.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 244

물리화학적 성질

녹는점: 197 °C · 197 °C (dec.)(lit.)
끓는 점: 349.5 · 349.5±27.0 °C(Predicted)
밀도: 1.325 · 1.325±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 1.08 · 1.08±0.30(Predicted)
InChI: 1S/C11H9NO3/c1-15-10-6-9(11(13)14)12-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,13,14)
InChIKey: AVBKMSSLAIKOGM-UHFFFAOYSA-N
SMILES: COc1cc(nc2ccccc12)C(O)=O

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 45 reports by companies from 5 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: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Methoxy-2-quinolinecarboxylic acid was used in preparation of novel oxorhenium(V) complexes incorporating quinoline and isoquinoline carboxylic acid derivatives and 2,3-diaminopyridinium 4-methoxyquinoline-2-carboxylate.

일반 설명The redox chemistry of the ligand 4-methoxy-2-quinolinecarboxylic acid, its monoanion and its complexes with manganese(II) and manganese(III) was studied.