Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看
IDENTITY
结构与身份
- 标准SMILES
- O=C(OC(=O)C(Cl)Cl)C(Cl)Cl
- InChIKey
- RQHMQURGSQBBJY-UHFFFAOYSA-N
- 分子式
- C4H2Cl4O3
- 平均分子量
- 239.9 g/mol
- 单同位素质量
- 237.875805
COMPUTED
结构计算性质
- XLogP
- 2.6
- 极性表面积
- 43.4 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 4
- 重原子
- 11
- 形式电荷
- 0
- 复杂度
- 149
PROPERTIES
实验与物化性质
Kovats Retention Index
1248
GHS
GHS分类
GHS Classification
Danger
H311 (97.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (97.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P260, P261, P262, P264, P270, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P361+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 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
Dichloroacetic anhydride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 3 (97.5%)；Skin Corr. 1B (100%)；Acute Tox. 4 (97.5%)
REGULATORY
法规信息
Regulatory Information
Dichloroacetic anhydride: Does not have an individual approval but may be used under an appropriate group standard
USES
用途与制造
General Manufacturing Information
Acetic acid, 2,2-dichloro-, 1,1'-anhydride: ACTIVE
ALIASES
名称与别名
Dichloroacetic anhydride4124-30-5Acetic acid, dichloro-, anhydrideMB3OGR64INAcetic acid, 2,2-dichloro-, 1,1'-anhydrideNSC-401832DTXSID5041011RefChem:586728DTXCID3021011223-924-8Dichloroacetic acid anhydride(2,2-dichloroacetyl) 2,2-dichloroacetateAnhydrid kyseliny dichloroctove2,2'-Dichloroacetic anhydrideUNII-MB3OGR64INEINECS 223-924-82,2-Dichloroacetic anhydrideNSC 401832Anhydrid kyseliny dichloroctove [Czech]BRN 0512173
REACTIONS
相关反应
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 (6/10) · 10.1039/C8SC04228D
查看
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看
Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看
Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
查看
uspto-grants-1989_03 · 10.6084/m9.figshare.5104873.v1 · US04812585
查看
uspto-grants-1989_03 · 10.6084/m9.figshare.5104873.v1 · US04812585
查看