Phenylglyoxal 分子结构式
HCID14090

Phenylglyoxal

2-oxo-2-phenylacetaldehyde

C8H6O2134.13 g/molCAS 1074-12-0

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

已同步
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

来源:PubChem
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

来源:PubChem
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

来源:PubChem
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

共 71 条
phenylglyoxal2-oxo-2-phenylacetaldehyde1074-12-0phenylethanedionebenzoylcarboxaldehydeglyoxal, phenyl-alpha-oxobenzeneacetaldehydeDTXSID8025888Benzeneacetaldehyde, alpha-oxo-benzeneacetaldehyde, alpha-oxo-, monohydrateN45G3015PANSC-26909NSC-156299DTXCID705888RefChem:173067214-036-1benzoylformaldehydeOxo(phenyl)acetaldehydeMFCD00006959Benzeneacetaldehyde, .alpha.-oxo-

REACTIONS

参与反应

32
HRID 32784 反应方程式

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07427639B2

查看
HRID 133016 反应方程式

uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07390808B2

查看
HRID 140954 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看
HRID 168494 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看
HRID 247462 反应方程式

uspto-grants-1987_11 · 10.6084/m9.figshare.5104873.v1 · US04707497

查看
HRID 280307 反应方程式

uspto-grants-1986_05 · 10.6084/m9.figshare.5104873.v1 · US04588749

查看
HRID 280308 反应方程式

uspto-grants-1986_05 · 10.6084/m9.figshare.5104873.v1 · US04588749

查看
HRID 280313 反应方程式

uspto-grants-1986_05 · 10.6084/m9.figshare.5104873.v1 · US04588749

查看