基本情報
- CAS
2598-30-3- 標準SMILES
O=Cc1ccc(O)c2ncccc12- InChIKey
LIADJWREMDHKHQ-UHFFFAOYSA-N- 分子式
- C10H7NO2
- 平均分子量
- 173.17 g/mol
- 単同位体質量
- 173.04767847
名称と識別子
- 優先名称
- 8-Hydroxyquinoline-5-carbaldehyde
- IUPAC
- 8-hydroxyquinoline-5-carbaldehyde
- 英語名
- 8-Hydroxy-quinoline-5-carbaldehyde
- 分子式
- C10H7NO2
- 分子量
- 173.17
名称と別名
8-hydroxyquinoline-5-carbaldehyde2598-30-3DTXSID70298275RefChem:1074720DTXCID002494125-Quinolinecarboxaldehyde, 8-hydroxy-8-hydroxy-quinoline-5-carbaldehydeMFCD03425064MLS000737539CHEMBL14876398-hydroxy-5-quinolinecarboxaldehyde8-hydroxyquinoline-5-carboxaldehyde
名称をさらに表示
5g 1 pcsIFLAB-BB F2108-0159Indacaterol Impurity 29Indacaterol Impurity 225-Quinolinecarboxaldehyde,8-hydroxy-
5-formyl-8-hydroxyquinoline5-Formyl-8-hydroxyquinoline; 5-Formyl-8-quinolinol; 8-Hydroxyquinoline-5-carbaldehyde; 8-Hydroxyquinoline-5-carboxaldehyde; NSC 122131;NSC1221315-formyl-8-hydroxychinolinSCHEMBL700910SCHEMBL30080768LIADJWREMDHKHQ-UHFFFAOYSA-NHMS2862A16
データベース識別子
- CAS
2598-30-3- PubChem CID
- 275363
- DTXSID
DTXSID70298275- ChEMBL
CHEMBL1487639- EC Number
- 803-415-2
- Nikkaji
- J651.065E
物性
構造計算による物性
- XLogP
- 1.7
- 極性表面積
- 50.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 1
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 195
物理化学的性質
- 融点
- 178 °C · 178 °C
- 沸点
- 383.1 · 383.1±22.0 °C(Predicted)
- 比重(密度)
- 1.364 · 1.364±0.06 g/cm3(Predicted)
- 貯蔵温度
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 溶解性
- クロロホルム（微量）、メタノール（微量）
- 外見
- 個体
- 酸解離定数(Pka)
- 3.88 · 3.88±0.10(Predicted)
- 色
- 緑
- InChI
- InChI=1S/C10H7NO2/c12-6-7-3-4-9(13)10-8(7)2-1-5-11-10/h1-6,13H
- InChIKey
- LIADJWREMDHKHQ-UHFFFAOYSA-N
- SMILES
- N1C2C(=C(C=O)C=CC=2O)C=CC=1
安全と法規制
GHS分類
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): 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, 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 39 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. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
安全データ
- wgk
- WGK 3
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 26
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
上流・下流製品情報
上流原料
サプライヤー84 社
山东玖玥生物科技有限公司15553333686
上海康恩博医药科技有限公司17510465506 · [email protected]
河北凡博医药科技有限公司15588346797
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
湖南嘉航医药科技有限公司85521272 15200744171 · [email protected]
関連反応
18 件
化合物ノート
読み込み中…