1,4-ジブロモイソキノリン

1,4-Dibromoisoquinoline

HCID 640981CAS 51206-40-7

部分構造検索類似構造を探す

基本情報

標準SMILES: Brc1cnc(Br)c2ccccc12
InChIKey: KXAHDPKQOFASEB-UHFFFAOYSA-N
分子式: C9H5Br2N
平均分子量: 286.95 g/mol
単同位体質量: 284.87887

名称と識別子

優先名称: 1,4-Dibromoisoquinoline
IUPAC: 1,4-dibromoisoquinoline
現地名: 1,4-ジブロモイソキノリン
英語名: 1,4-DIBROMOISOQUINOLINE
分子式: C9H5Br2N
分子量: 286.95

名称と別名

1,4-dibromoisoquinoline51206-40-7isoquinoline, 1,4-dibromo-DTXSID30348841RefChem:73213DTXCID60299913849-622-1InChI=1/C9H5Br2N/c10-8-5-12-9(11)7-4-2-1-3-6(7)8/h1-5MFCD002344751,4-DIBROMO-ISOQUINOLINESCHEMBL1446736SCHEMBL29751039

名称をさらに表示

1,4-ジブロモイソキノリン1,4-DIBROMOISOQUINOLINE ISO 9001：2015 REACH

KXAHDPKQOFASEB-UHFFFAOYSA-NAKOS015835843DS-0347MB01038SY075942DB-071320CS-0131946EN300-398172

データベース識別子

CAS: 51206-40-7
PubChem CID: 640981
DTXSID: DTXSID30348841
EC Number: 849-622-1
Nikkaji: J3.783.216B

物性

構造計算による物性

XLogP: 3.8
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: 12
形式電荷: 0
複雑度: 163

物理化学的性質

沸点: 352.5 · 352.5±22.0 °C(Predicted)
比重(密度): 1.923 · 1.923
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): -0.02 · -0.02±0.31(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]；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+P316, 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (50%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (50%)；STOT SE 3 (100%)

安全データ

注意喚起語: 警告
危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

上流・下流製品情報

上流原料

4-ブロモイソキノリン2-オキシド 1-ヒドロキシイソキノリン

サプライヤー40 社

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]