3-Cyclobutene-1,2-dione, 3,4-dimethoxy- 分子结构式
HCID123227

3-Cyclobutene-1,2-dione, 3,4-dimethoxy-

3,4-dimethoxycyclobut-3-ene-1,2-dione

C6H6O4142.11 g/molCAS 5222-73-1

IDENTITY

结构与身份

标准SMILES
COc1c(OC)c(=O)c1=O
InChIKey
SZBNZTGCAMLMJY-UHFFFAOYSA-N
分子式
C6H6O4
平均分子量
142.11 g/mol
单同位素质量
142.02660867

COMPUTED

结构计算性质

已同步
XLogP
-0.1
极性表面积
52.6 Ų
氢键供体
0
氢键受体
4
可旋转键
2
重原子
10
形式电荷
0
复杂度
202

GHS

GHS分类

GHS Classification

Danger

H315 (17%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (97.9%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (17%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H334 (97.9%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H335 (12.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 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 (17%);Skin Sens. 1 (97.9%);Eye Irrit. 2 (17%);Resp. Sens. 1 (97.9%);STOT SE 3 (12.8%)

ALIASES

名称与别名

共 41 条
3,4-Dimethoxy-3-cyclobutene-1,2-dione5222-73-1Dimethyl squarate3-Cyclobutene-1,2-dione, 3,4-dimethoxy-DTXSID40200269RefChem:500663DTXCID90122760627-380-63,4-dimethoxycyclobut-3-ene-1,2-dionedimethoxycyclobut-3-ene-1,2-dioneMFCD001013163,4-Dimethoxy-cyclobut-3-ene-1,2-dione1,2-dimethoxycyclobutene-3,4-dioneDimethoxycyclobutenedione3-Cyclobutene-1,2-dione,3,4-dimethoxy-SCHEMBL239276CHEMBL5399800SZBNZTGCAMLMJY-UHFFFAOYSA-STR09811BBL011281

REACTIONS

相关反应

52
HRID 34795 反应方程式

uspto-grants-1988_08 · 10.6084/m9.figshare.5104873.v1 · US04762932

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HRID 34808 反应方程式

uspto-grants-1988_08 · 10.6084/m9.figshare.5104873.v1 · US04762932

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HRID 34809 反应方程式

uspto-grants-1988_08 · 10.6084/m9.figshare.5104873.v1 · US04762932

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HRID 121432 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID 235663 反应方程式

uspto-grants-1987_02 · 10.6084/m9.figshare.5104873.v1 · US04640926

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HRID 253598 反应方程式

uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07872028B2

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HRID 253599 反应方程式

uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07872028B2

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HRID 259072 反应方程式

uspto-grants-1977_07 · 10.6084/m9.figshare.5104873.v1 · US04036828

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