uspto-grants-1996_03 · 10.6084/m9.figshare.5104873.v1 · US05498549
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IDENTITY
结构与身份
- 标准SMILES
- ClCc1ccc2ccc3cccc4ccc1c2c34
- InChIKey
- MVNXSXOJYGSNQZ-UHFFFAOYSA-N
- 分子式
- C17H11Cl
- 平均分子量
- 250.7 g/mol
- 单同位素质量
- 250.054928
COMPUTED
结构计算性质
- XLogP
- 5.4
- 极性表面积
- 0 Ų
- 氢键供体
- 0
- 氢键受体
- 0
- 可旋转键
- 1
- 重原子
- 18
- 形式电荷
- 0
- 复杂度
- 313
GHS
GHS分类
GHS Classification
Warning
H400 (97.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, 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.；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
Aquatic Acute 1 (97.5%)
ALIASES
名称与别名
1-Chloromethylpyrene1086-00-61-(chloromethyl)pyrenePyrene, 1-(chloromethyl)-B7AEW53FE3NSC-133487DTXSID00148597RefChem:431500DTXCID1071088679-667-0MFCD00962113CCRIS 1780NSC 133487BRN 1967710pyren-1-ylmethylchloride1-(Chloromethyl)-pyreneUNII-B7AEW53FE3C17H11ClSCHEMBL3491410NSC133487
REACTIONS
