uspto-grants-1998_10 · 10.6084/m9.figshare.5104873.v1 · US05827501
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IDENTITY
结构与身份
- 标准SMILES
- O=C1C=C(O)C(=O)C=C1O
- InChIKey
- QFSYADJLNBHAKO-UHFFFAOYSA-N
- 分子式
- C6H4O4
- 平均分子量
- 140.09 g/mol
- 单同位素质量
- 140.0109586
COMPUTED
结构计算性质
- XLogP
- -0.3
- 极性表面积
- 74.6 Ų
- 氢键供体
- 2
- 氢键受体
- 4
- 可旋转键
- 0
- 重原子
- 10
- 形式电荷
- 0
- 复杂度
- 231
PROPERTIES
实验与物化性质
Physical Description
Yellow or orange powder; [Alfa Aesar MSDS]
GHS
GHS分类
GHS Classification
Warning
H302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (89.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (89.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (95.7%): 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, 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 46 reports by companies from 6 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
Regulatory Information
Chemical: 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-
Hazards Summary
A skin and strong eye irritant; [Alfa Aesar MSDS] See Quinone.
Hazard Classes and Categories
Acute Tox. 4 (89.1%)；Acute Tox. 4 (89.1%)；Skin Irrit. 2 (97.8%)；Eye Irrit. 2 (97.8%)；Acute Tox. 4 (89.1%)；STOT SE 3 (95.7%)
REGULATORY
法规信息
Regulatory Information
Chemical: 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-
USES
用途与制造
Uses
Synthetic Polymer MALDI Matrix Compounds
General Manufacturing Information
2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-: ACTIVE
ALIASES
名称与别名
2,5-Dihydroxy-1,4-benzoquinone615-94-12,5-dihydroxycyclohexa-2,5-diene-1,4-dione2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-p-Benzoquinone, 2,5-dihydroxy-ANILIC ACID0KG5HVB52ZNSC-3843DTXSID4060658RefChem:82862DTXCID9043067210-454-32,5-Dihydroxy-p-benzoquinoneMFCD000015982,5-Dihydroxybenzoquinone1760-52-7DHBQ2,5-dihydroxy-[1,4]benzoquinone1,4-Benzoquinone, 2,5-dihydroxy-p-Benzoquinone, 2,5-dihydroxy
REACTIONS
