6-ブロモ-1,2,3,4-テトラヒドロ-4,4-ジメチルキノリン塩酸塩

6-Bromo-1,2,3,4-tetrahydro-4,4-dimethylquinoline

HCID 10823932

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 135631-91-3
標準SMILES: CC1(C)CCNc2ccc(Br)cc21
InChIKey: WBOOAXJWGJAIMB-UHFFFAOYSA-N
分子式: C11H14BrN
平均分子量: 240.14 g/mol
単同位体質量: 239.03096

名称と識別子

優先名称: 6-Bromo-1,2,3,4-tetrahydro-4,4-dimethylquinoline
IUPAC: 6-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline
現地名: 6-ブロモ-1,2,3,4-テトラヒドロ-4,4-ジメチルキノリン塩酸塩
英語名: 6-bromo-1,2,3,4-tetrahydro-4,4-dimethylquinoline hydrochloride
分子式: C11H14BrN
分子量: 240.14

名称と別名

135631-91-36-bromo-1,2,3,4-tetrahydro-4,4-dimethylQuinolineRefChem:3072876-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline6-bromo-4,4-dimethyl-1,2,3,4-tetrahydroquinoline6-BROMO-4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-QUINOLINEMFCD09701997Quinoline, 6-bromo-1,2,3,4-tetrahydro-4,4-dimethyl-SCHEMBL1396642WBOOAXJWGJAIMB-UHFFFAOYSA-NAKOS024028374SB33002

名称をさらに表示

6-ブロモ-1,2,3,4-テトラヒドロ-4,4-ジメチルキノリン塩酸塩6-broMo-14-tetrahydro-4CAS:135631-91-34-diMethylquinoline hydrochloride6-Bromo-4,4-dimethyl-1,2,3,4-tetrahydroquinoline, HCl6-BroMo-1,2,3,4-tetrahydro-4,4-diMethyl-quinoline HCl6-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline,hydrochloride

SY033774CS-02792986-Bromo-44-dimethyl-23-dihydro-1H-quinolineEN300-739656F16236F6868684,4-Dimethyl-6-bromo-1,2,3,4-tetrahydroquinoline6-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline hydrochloride

データベース識別子

CAS: 135631-91-3
PubChem CID: 10823932
EC Number: 839-077-8

物性

構造計算による物性

XLogP: 3.9
極性表面積: 12 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 13
形式電荷: 0
複雑度: 191

物理化学的性質

沸点: 304.9 · 304.9±41.0 °C(Predicted)
比重(密度): 1.284 · 1.284±0.06 g/cm3(Predicted)
貯蔵温度: Room temperature.
酸解離定数(Pka): 4.33 · 4.33±0.40(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 2 reports by companies from 2 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.