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关于此项目
经验公式(希尔记法):
C9H10O
化学文摘社编号:
分子量:
134.18
PubChem Substance ID:
UNSPSC Code:
12352002
Beilstein/REAXYS Number:
4658061
MDL number:
SMILES string
O[C@H](C=C)c1ccccc1
InChI
1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h2-7,9-10H,1H2/t9-/m1/s1
InChI key
MHHJQVRGRPHIMR-SECBINFHSA-N
grade
technical
assay
≥95% (sum of enantiomers, GC)
optical activity
[α]20/D +1.0±0.5°, c = 3.2% in chloroform
optical purity
enantiomeric ratio: ≥93:7 (GC)
refractive index
n20/D 1.543
density
1.021 g/mL at 20 °C (lit.)
storage temp.
−20°C
Other Notes
手性结构单元
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
10 - Combustible liquids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
新产品
此项目有
D.A. Claremon et al.
Journal of the American Chemical Society, 108, 8265-8265 (1986)
Lin Yi et al.
Analytical and bioanalytical chemistry, 386(3), 666-674 (2006-05-26)
Characterizing the biological effects of metabolic transformations (or biotransformation) is one of the key steps in developing safe and effective pharmaceuticals. Sulfate conjugation, one of the major phase II biotransformations, is the focus of this study. While this biotransformation typically
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