所有图片(1)
About This Item
线性分子式:
FC6H4CH(CH3)OH
CAS号:
分子量:
140.15
MDL编号:
UNSPSC代码:
12352101
PubChem化学物质编号:
NACRES:
NA.22
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方案
97%
表单
liquid
旋光性
[α]20/D -49.0°, c = 1 in chloroform
折射率
n20/D 1.502
密度
1.111 g/mL at 25 °C
官能团
fluoro
hydroxyl
SMILES字符串
C[C@H](O)c1ccc(F)cc1
InChI
1S/C8H9FO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3/t6-/m0/s1
InChI key
PSDSORRYQPTKSV-LURJTMIESA-N
应用
(S)-4-Fluoro-α-methylbenzyl alcohol can be used as a starting material to synthesize a CCR5 antagonist named MLN1251.Along with its ortho- and non-fluorine substituted analogs, it can be used to study the role of fluorine substitution in chiral discrimination in molecular complexes.
警示用语：
Warning
危险分类
Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
靶器官
Respiratory system
储存分类代码
10 - Combustible liquids
WGK
WGK 3
闪点(°F)
Not applicable
闪点(°C)
Not applicable
个人防护装备
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
新产品
Expedient synthesis of MLN1251, a CCR5 antagonist for treatment of HIV
Ronn M, et al.
Organic Process Research & Development, 11(2), 241-245 (2007)
The effect of fluorine substitution on chiral recognition: interplay of CH? pi, OH? pi and CH? F interactions in gas-phase complexes of 1-aryl-1-ethanol with butan-2-ol
Ciavardini A, et al.
Physical Chemistry Chemical Physics, 15(44), 19360-19370 (2013)
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