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关于此项目
经验公式(希尔记法):
C4H7BrO
化学文摘社编号:
分子量:
151.00
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
1560144
Assay:
≥90% (sum of enantiomers, GC)
Form:
liquid
InChI
1S/C4H7BrO/c5-2-1-4-3-6-4/h4H,1-3H2/t4-/m0/s1
SMILES string
BrCC[C@H]1CO1
InChI key
ZKODPGZNBMIZFX-BYPYZUCNSA-N
grade
technical
assay
≥90% (sum of enantiomers, GC)
form
liquid
optical activity
[α]20/D −26±1°, c = 0.3% in chloroform
refractive index
n20/D 1.476
bp
80 °C/50 mmHg (lit.)
density
1.521 g/mL at 20 °C (lit.)
Quality Level
Other Notes
具有两个不同亲电子中心的多功能双官能团手性结构单元
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
3 - Flammable liquids
wgk
WGK 3
flash_point_f
138.2 °F - closed cup
flash_point_c
59 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
新产品
此项目有
D. Seebach et al.
Liebigs Ann. Chem., 1007-1007 (1990)
Y. Yuasa et al.
Synthetic Communications, 27, 573-573 (1997)
Amy Hauck Newman et al.
Journal of medicinal chemistry, 52(8), 2559-2570 (2009-04-01)
In the present report, the D3 receptor pharmacophore is modified in the 2,3-diCl- and 2-OCH(3)-phenylpiperazine class of compounds with the goal to improve D3 receptor affinity and selectivity. This extension of structure-activity relationships (SAR) has resulted in the identification of
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