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线性分子式:
C6H5C(OCH3)(CF3)CO2H
化学文摘社编号:
分子量:
234.17
UNSPSC Code:
41115716
NACRES:
NA.22
PubChem Substance ID:
EC Number:
243-829-5
Beilstein/REAXYS Number:
3591560
MDL number:
Assay:
≥99.0% (T), ≥99.0%
Form:
solid
InChI key
JJYKJUXBWFATTE-SECBINFHSA-N
InChI
1S/C10H9F3O3/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15)/t9-/m1/s1
SMILES string
CO[C@@](C(O)=O)(c1ccccc1)C(F)(F)F
grade
derivatization grade (chiral)
assay
≥99.0% (T), ≥99.0%
form
solid
optical activity
[α]20/D +73±1°, c = 2% in methanol
optical purity
enantiomeric ratio: ≥99.5:0.5 (GC)
quality
LiChropur™
technique(s)
HPLC: suitable
refractive index
n20/D 1.473 (lit.)
bp
105-107 °C/1 mmHg (lit.)
mp
46-49 °C (lit.)
density
1.344 g/mL at 25 °C (lit.)
storage temp.
2-8°C
Quality Level
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signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Gloves
A new chiral reagent for the determination of nantiomeric purity and absolute configuration of certain substituted -arylethylamines.
L R Pohl et al.
Journal of medicinal chemistry, 16(5), 475-479 (1973-05-01)
Michael North
Principles and Applications of Stereochemistry, 112-112 (1998)
J Gal
Journal of pharmaceutical sciences, 66(2), 169-172 (1977-02-01)
Amphetamine and eight related compounds were reacted with the chiral acylating reagent (-)-alpha-methoxy-alpha-(trifluoromethyl)phenylacetyl chloride to obtain, in each case, two diastereomeric amide derivatives. GLC conditions were found for the separation of the diastereomers in seven of the nine cases studied.
D.R. Knapp
Handbook of Analytical Derivatization Reactions, 411-411 (1979)
S. Yamagichi et al.
Asymmetric Synthesis, 1, 128-128 (1983)
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