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结构：C=Cc1ncnc(Cl)c1F
HCID73672883

4-Chloro-6-ethenyl-5-fluoropyrimidine

C6H4ClFN2158.56 g/molCAS 1403893-61-7
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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

已同步
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

来源：PubChem
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

来源：PubChem
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

来源：PubChem
Regulatory Information

Status: Active Update: 03-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29376

ALIASES

名称与别名

共 16 条
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

参与反应

1 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂