uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07427639B2
查看IDENTITY
结构与身份
- 标准SMILES
- O=CC(=O)c1ccccc1
- InChIKey
- OJUGVDODNPJEEC-UHFFFAOYSA-N
- 分子式
- C8H6O2
- 平均分子量
- 134.13 g/mol
- 单同位素质量
- 134.03677943
COMPUTED
结构计算性质
- XLogP
- 1.7
- 极性表面积
- 34.1 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 2
- 重原子
- 10
- 形式电荷
- 0
- 复杂度
- 134
GHS
GHS分类
GHS Classification
Warning
H302 (95.1%): 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 (97.6%): 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 41 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
Acute Tox. 4 (95.1%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (97.6%)
PHARMACOLOGY
药理信息
MeSH Pharmacological Classification
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
ALIASES
名称与别名
REACTIONS
参与反应
uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07390808B2
查看Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看uspto-grants-1987_11 · 10.6084/m9.figshare.5104873.v1 · US04707497
查看uspto-grants-1986_05 · 10.6084/m9.figshare.5104873.v1 · US04588749
查看uspto-grants-1986_05 · 10.6084/m9.figshare.5104873.v1 · US04588749
查看uspto-grants-1986_05 · 10.6084/m9.figshare.5104873.v1 · US04588749
查看