uspto-grants-2007_07 · 10.6084/m9.figshare.5104873.v1 · US07247747B2
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IDENTITY
结构与身份
- 标准SMILES
- O=C(O)CC(Cl)C(=O)O
- InChIKey
- QEGKXSHUKXMDRW-UHFFFAOYSA-N
- 分子式
- C4H5ClO4
- 平均分子量
- 152.53 g/mol
- 单同位素质量
- 151.9876363
COMPUTED
结构计算性质
- XLogP
- -0.1
- 极性表面积
- 74.6 Ų
- 氢键供体
- 2
- 氢键受体
- 4
- 可旋转键
- 3
- 重原子
- 9
- 形式电荷
- 0
- 复杂度
- 133
GHS
GHS分类
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；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 Corr. 1B (100%)
ALIASES
名称与别名
CHLOROSUCCINIC ACID16045-92-42-Chlorosuccinic acidCCRIS 5678EINECS 240-188-3E7056CM1PKmonochlorosuccinic acidCHEBI:90244BUTANEDIOIC ACID, 2-CHLORO-RefChem:575955240-188-32-Chlorobutanedioic acidCHLOROSUCCINICACIDchlorobutanedioic acidDTXSID7021526(R)-2-CHLOROSUCCINIC ACIDC4H5ClO4UNII-E7056CM1PKChlorbernsteinsaureMFCD00004225
REACTIONS
