uspto-grants-2016_07 · 10.6084/m9.figshare.5104873.v1 · US09388167B2
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IDENTITY
结构与身份
- 标准SMILES
- C=Cc1ncnc(Cl)c1F
- InChIKey
- OOPSUAVKHZVJLT-UHFFFAOYSA-N
- 分子式
- C6H4ClFN2
- 平均分子量
- 158.56 g/mol
- 单同位素质量
- 158.004704
COMPUTED
结构计算性质
- XLogP
- 2.1
- 极性表面积
- 25.8 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 1
- 重原子
- 10
- 形式电荷
- 0
- 复杂度
- 131
GHS
GHS分类
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P260, P261, P264, P270, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 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
Status: Active Update: 03-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29376
Hazard Classes and Categories
Acute Tox. 2 (100%)；Skin Corr. 1B (100%)；Skin Sens. 1 (100%)
REGULATORY
法规信息
Regulatory Information
Status: Active Update: 03-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29376
ALIASES
名称与别名
4-Chloro-5-fluoro-6-vinylpyrimidine1403893-61-74-CHLORO-6-ETHENYL-5-FLUOROPYRIMIDINEDTXSID101287664RefChem:521588DTXCID501718312940-222-3Pyrimidine, 4-chloro-6-ethenyl-5-fluoro-Voriconazole Impurity 34S7JHN785KQSCHEMBL15649019WLZ3568OOPSUAVKHZVJLT-UHFFFAOYSA-N4-Chloro-5-fluoro-6-vinyl pyrimidineSB56075DS-001389
REACTIONS
