8ブロモ4クロロ2メチルキノリン

8-Bromo-4-chloro-2-methylquinoline

HCID 768483

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1201-07-6
標準SMILES: Cc1cc(Cl)c2cccc(Br)c2n1
InChIKey: SDVHWORPDUOWDV-UHFFFAOYSA-N
分子式: C10H7BrClN
平均分子量: 256.52 g/mol
単同位体質量: 254.94504

名称と識別子

優先名称: 8-Bromo-4-chloro-2-methylquinoline
IUPAC: 8-bromo-4-chloro-2-methylquinoline
現地名: 8ブロモ4クロロ2メチルキノリン
英語名: 8-BROMO-4-CHLORO-2-METHYLQUINOLINE
分子式: C10H7BrClN
分子量: 256.53

名称と別名

8-Bromo-4-chloro-2-methylquinoline1201-07-6DTXSID20354310RefChem:311831DTXCID50305370802-663-9Quinoline, 8-bromo-4-chloro-2-methyl-MFCD002724322-methyl-4-chloro-8-bromo-quinolineSCHEMBL317207AKOS000618523AB05684

名称をさらに表示

8ブロモ4クロロ2メチルキノリン8-ブロモ-4-クロロ-2-メチルキノリン8-BROMO-4-CHLOROQUINALDINE2-Methyl-4-chloro-8-BroMoquinoline

AC-37177BS-14541C71676EN300-627350AN-584/133692248-Bromo-4-chloro-2-methyl-quinoline8-Bromo-4-chloro-2-methylquinWLZ4059

データベース識別子

CAS: 1201-07-6
PubChem CID: 768483
DTXSID: DTXSID20354310
EC Number: 802-663-9

物性

構造計算による物性

XLogP: 3.9
極性表面積: 12.9 Å²
水素結合供与体数: 0
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: 188

物理化学的性質

沸点: 321.9 · 321.9±37.0 °C(Predicted)
比重(密度): 1.591 · 1.591±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: powder
酸解離定数(Pka): 1.71 · 1.71±0.50(Predicted)
色: Light brown
InChI: 1S/C10H7BrClN/c1-6-5-9(12)7-3-2-4-8(11)10(7)13-6/h2-5H,1H3
InChIKey: SDVHWORPDUOWDV-UHFFFAOYSA-N
SMILES: Cc1cc(Cl)c2cccc(Br)c2n1

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H318 (100%): 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 39 reports by companies from 1 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 (100%)；Eye Dam. 1 (100%)

安全データ

wgk: 3
ridadr: UN 2811 6.1 / PGIII
hs_code: 2933499090
risk_code: 25-41
hazard_code: T
safety_code: 26-39-45
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