4クロロ8メトキシ2メチルキノリン

4-Chloro-8-methoxy-2-methylquinoline

HCID 807583CAS 64951-58-2

部分構造検索類似構造を探す

基本情報

標準SMILES: COc1cccc2c(Cl)cc(C)nc12
InChIKey: RHSCPZBPNUZBOA-UHFFFAOYSA-N
分子式: C11H10ClNO
平均分子量: 207.65 g/mol
単同位体質量: 207.0450916

名称と識別子

優先名称: 4-Chloro-8-methoxy-2-methylquinoline
IUPAC: 4-chloro-8-methoxy-2-methylquinoline
現地名: 4クロロ8メトキシ2メチルキノリン
英語名: 4-CHLORO-8-METHOXY-2-METHYLQUINOLINE
分子式: C11H10ClNO
分子量: 207.66

名称と別名

4-Chloro-8-methoxy-2-methylquinoline64951-58-2DTXSID40355586RefChem:291949DTXCID10306646676-787-5MFCD002724014-Chloro-8-methoxy-2-methyl-quinoline4-Chloro-8-methoxyquinaldineCBMicro_008398SCHEMBL316994SCHEMBL29393886

名称をさらに表示

4クロロ8メトキシ2メチルキノリン4-クロロ-8-メトキシ-2-メチルキノリン4-chloro-8-Methoxxyquinaldine8-Methoxy-4-chloro-2-Methyl quinoline2-methyl-4-chloro-8-methoxy quinolineQuinoline, 4-chloro-8-methoxy-2-methyl-4-Chloro-8-methoxy-2-methylquinoline 97%4-chloro-8-methoxy-2-methylquinoline - [C87161]

WLZ4017RHSCPZBPNUZBOA-UHFFFAOYSA-NSMSF0009987SBB0792484-chloro-2-methyl-8-methoxyquinolineAKOS000507495CB11345FC28940

データベース識別子

CAS: 64951-58-2
PubChem CID: 807583
DTXSID: DTXSID40355586
EC Number: 676-787-5

物性

構造計算による物性

XLogP: 3.2
極性表面積: 22.1 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 200

物理化学的性質

融点: 80 · 80-85 °C
沸点: 308.8 · 308.8±37.0 °C(Predicted)
比重(密度): 1.228 · 1.228±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 2.67 · 2.67±0.50(Predicted)
外見: solid
InChI: InChI=1S/C11H10ClNO/c1-7-6-9(12)8-4-3-5-10(14-2)11(8)13-7/h3-6H,1-2H3
InChIKey: RHSCPZBPNUZBOA-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2OC)C(Cl)=CC=1C
CAS データベース: 64951 · 64951-58-2(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (90.9%): Toxic if swallowed [Danger Acute toxicity, oral]；H318 (90.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (90.9%)；Eye Dam. 1 (90.9%)

安全データ

wgk: 3
ridadr: UN 2811 6.1 / PGIII
hs_code: 2933499090
risk_code: 25-41
hazard_code: Xi,T
safety_code: 26-39-45
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野

使用4-CHLORO-8-METHOXY-2-METHYLQUINOLINE is an organic chemical and pharmaceutical intermediate, its chloro group on quinoline core make it uesful for synthesizing functional materials and bioactive molecules.