4-クロロ-6-メトキシキノリン-3-カルボン酸エチル

Ethyl 4-chloro-6-methoxyquinoline-3-carboxylate

HCID 304558

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 22931-71-1
標準SMILES: CCOC(=O)c1cnc2ccc(OC)cc2c1Cl
InChIKey: QURGQUFEJWWDRF-UHFFFAOYSA-N
分子式: C13H12ClNO3
平均分子量: 265.69 g/mol
単同位体質量: 265.0505709

名称と識別子

優先名称: Ethyl 4-chloro-6-methoxyquinoline-3-carboxylate
IUPAC: ethyl 4-chloro-6-methoxyquinoline-3-carboxylate
現地名: 4-クロロ-6-メトキシキノリン-3-カルボン酸エチル
英語名: ethyl 4-chloro-6-methoxy-quinoline-3-carboxylate
分子式: C13H12ClNO3
分子量: 265.69

名称と別名

ethyl 4-chloro-6-methoxyquinoline-3-carboxylateDTXSID30307938RefChem:595387DTXCID90259065803-412-622931-71-1MFCD001734174-Chloro-6-methoxyquinoline-3-carboxylic acid ethyl esterEthyl 4-chloro-6-methoxy-quinoline-3-carboxylateGNF-Pf-35513-Quinolinecarboxylic acid, 4-chloro-6-methoxy-, ethyl esterethyl 4chloro-6methoxyquinoline-3-carboxylate

名称をさらに表示

4-クロロ-6-メトキシキノリン-3-カルボン酸エチル3-Carbethoxy-4-chloro-6-methoxyquinoline4-Chloro-6-methoxy-quinoline-3-carboxylic acid ethyl ester

6J-071SR-01000453170SR-01000453170-13-CarbethNSC196908FT-0646041Ethyl4-chloro-6-methoxyquinoline-3-carboxylateEthyl 4-chloro-6-methoxy-3-quinolinecarboxylate

データベース識別子

CAS: 22931-71-1
PubChem CID: 304558
DTXSID: DTXSID30307938
ChEMBL: CHEMBL601324
EC Number: 803-412-6

物性

構造計算による物性

XLogP: 3
極性表面積: 48.4 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 18
形式電荷: 0
複雑度: 300

物理化学的性質

融点: 88 · 88-90℃
貯蔵温度: Store at room temperature
外見: solid
InChI: 1S/C13H12ClNO3/c1-3-18-13(16)10-7-15-11-5-4-8(17-2)6-9(11)12(10)14/h4-7H,3H2,1-2H3
InChIKey: QURGQUFEJWWDRF-UHFFFAOYSA-N
SMILES: CCOC(=O)c1cnc2ccc(OC)cc2c1Cl

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.；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.

危険有害性情報

Hazard Classes and CategoriesEye Irrit. 2A (100%)

安全データ

wgk: 3
hs_code: 2933499090
risk_code: 36
hazard_code: Xi
safety_code: 26
Hazard Classifications: Eye Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用Ethyl 4-chloro-6-methoxyquinoline-3-carboxylate is an important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.