CAS 1146576-61-5 1-(5,6,7,8-Tetrahydroquinolin-8-yl)ethan-1-one (HCID 42604452)

基本情報

CAS: 1146576-61-5
標準SMILES: CC(=O)C1CCCc2cccnc21
InChIKey: YCPXJTSSSPGZOE-UHFFFAOYSA-N
分子式: C11H13NO
平均分子量: 175.23 g/mol

名称と識別子

優先名称: 1-(5,6,7,8-Tetrahydroquinolin-8-yl)ethan-1-one
IUPAC: 1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
英語名: 8-Acetyl-5,6,7,8-tetrahydroquinoline
分子式: C11H13NO
分子量: 175.23

名称と別名

1146576-61-51-(5,6,7,8-tetrahydroquinolin-8-yl)ethan-1-oneRefChem:426073802-467-38-Acetyl-5,6,7,8-tetrahydroquinoline1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanoneSCHEMBL2688968SCHEMBL29640806YCPXJTSSSPGZOE-UHFFFAOYSA-N8-Acetyl-5678-tetrahydroquinolineMFCD19689778AKOS017523539

名称をさらに表示

8-Acetyl-5,6,7,8-tetrahydroquinoline 95%Ethanone, 1-(5,6,7,8-tetrahydro-8-quinolinyl)-

SY362811CS-0102376F53821EN300-1709940F605996

データベース識別子

CAS: 1146576-61-5
PubChem CID: 42604452
EC Number: 802-467-3
Nikkaji: J2.706.252K

物性

構造計算による物性

XLogP: 1.5
極性表面積: 30 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: 13
形式電荷: 0
複雑度: 202

物理化学的性質

沸点: 312.4 · 312.4±30.0 °C(Predicted)
比重(密度): 1.107 g/mL · 1.107 g/mL at 25 °C
屈折率: 20 · n20/D1.568
闪点: 110 ℃ · >110℃
酸解離定数(Pka): 5.44 · 5.44±0.40(Predicted)
外見: liquid
InChI: 1S/C11H13NO/c1-8(13)10-6-2-4-9-5-3-7-12-11(9)10/h3,5,7,10H,2,4,6H2,1H3
InChIKey: YCPXJTSSSPGZOE-UHFFFAOYSA-N
SMILES: n1c2c(ccc1)CCCC2C(=O)C

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (95.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (95.1%)

安全データ

wgk: 3
ridadr: UN 2810 6.1 / PGIII
risk_code: 25-36/37/38
hazard_code: T
safety_code: 26
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
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Versatile ligand for CuI mediated room temperature C-N coupling reactions

上流・下流製品情報

上流原料

5,6,7,8-テトラヒドロキノリンアセトニトリル

サプライヤー11 社

Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]

重庆旭晗科技有限公司13668063927; 13668063927 · [email protected]

Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]

HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

関連反応

68 件

反応記録を作成

HRID 80599反応物としてuspto-grants-2014_09

HRID 1344689触媒としてHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions

HRID 1344690触媒としてHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions

HRID 1344691触媒としてHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions

HRID 1344692触媒としてHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions

HRID 1344693触媒としてHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions

HRID 1344694触媒としてHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions

HRID 1344695触媒としてHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions

化合物ノート

読み込み中…