基本信息
- 标准SMILES
c1cc(-c2ccc(OCC3CO3)cc2)ccc1OCC1CO1- InChIKey
OZRVXYJWUUMVOW-UHFFFAOYSA-N- 分子式
- C18H18O4
- 平均分子量
- 298.3 g/mol
- 单同位素质量
- 298.12050905
名称与标识
- 首选名称
- 4,4'-Bis(2,3-epoxypropoxy)biphenyl
- IUPAC
- 2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
- 中文名
- 4,4'-bis(2,3-epoxypropoxy)biphenyl
- 英文名
- 4,4'-bis(2,3-epoxypropoxy)biphenyl
- 分子式
- C18H18O4
- 分子量
- 298.33
名称与别名
展开更多名称
数据库标识
- CAS
2461-46-3、90837-23-3- PubChem CID
- 102824
- DTXSID
DTXSID90947511- EC Number
- 219-556-2
- Nikkaji
- J216.103F
性质
结构计算性质
- XLogP
- 2.9
- 极性表面积
- 43.5 Ų
- 氢键供体
- 0
- 氢键受体
- 4
- 可旋转键
- 7
- 重原子
- 22
- 形式电荷
- 0
- 复杂度
- 311
物理化学性质
- 熔点
- 156 °C · 156 °C
- 沸点
- 473.6 · 473.6±30.0 °C(Predicted)
- 密度
- 1.226 · 1.226±0.06 g/cm3(Predicted)
- InChI
- InChI=1S/C18H18O4/c1-5-15(19-9-17-11-21-17)6-2-13(1)14-3-7-16(8-4-14)20-10-18-12-22-18/h1-8,17-18H,9-12H2
- InChIKey
- OZRVXYJWUUMVOW-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=C(OCC3CO3)C=C2)=CC=C(OCC2CO2)C=C1
安全与法规
GHS分类
GHS Classification
Warning
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 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.
危害信息
法规信息
安全数据
- tsca
- TSCA listed
化学与工业
用途与制造
试剂价格
- XW246146301 · 1G
- 4,4’-联苯双酚二缩水甘油醚 — 883元
供应商41 家
相关反应
关联笔记
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