HRID18293
uspto-grants-2010_06
作为反应物
uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07741339B2
查看条件与参与物IDENTITY
结构与身份
- 标准 SMILES
- O=Cc1cnc2ccccc2c1
- InChIKey
- RYGIHSLRMNXWCN-UHFFFAOYSA-N
- 分子式
- C10H7NO
- 平均分子量
- 157.17 g/mol
- 单同位素质量
- 157.05276385
COMPUTED
结构计算性质
- XLogP
- 2
- 极性表面积
- 30 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 1
- 重原子
- 12
- 形式电荷
- 0
- 复杂度
- 169
GHS
GHS 分类
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (13.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 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.
HAZARDS
危害信息
Hazard Classes and Categories
Skin Irrit. 2 (100%)；Eye Irrit. 2A (13.6%)；STOT SE 3 (97.7%)
ALIASES
名称与别名
3-Quinolinecarboxaldehyde13669-42-6Quinoline-3-carbaldehydeDTXSID40159889RefChem:872033DTXCID3082380237-147-7Quinoline-3-carboxaldehyde3-QuinolinecarbaldehydeMFCD000067683-FormylquinolineEINECS 237-147-7quinoline-3 carbaldehyde3-quinoline carboxaldehydequinoline 3-carboxaldehyde3-Quinoline-carboxaldehydeQUINOLINE-3-ALDEHYDECHEMBL11852SCHEMBL232457SCHEMBL232458
REACTIONS
参与反应
HRID47582
uspto-grants-2004_03
作为反应物
uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06699852B2
查看条件与参与物HRID103632
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看条件与参与物HRID129725
uspto-grants-1995_11
作为反应物
uspto-grants-1995_11 · 10.6084/m9.figshare.5104873.v1 · US05470851
查看条件与参与物HRID152438
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看条件与参与物HRID183613
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看条件与参与物HRID204675
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看条件与参与物HRID214722
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看条件与参与物