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经验公式(希尔记法):
C28H45ClO2
化学文摘社编号:
分子量:
449.11
UNSPSC Code:
12352103
NACRES:
NA.23
PubChem Substance ID:
EC Number:
230-447-9
Beilstein/REAXYS Number:
3223154
MDL number:
InChI key
QNEPTKZEXBPDLF-JDTILAPWSA-N
InChI
1S/C28H45ClO2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-26(29)30)13-15-27(20,4)25(22)14-16-28(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,27+,28-/m1/s1
SMILES string
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(Cl)=O
Quality Level
form
liquid crystal
optical activity
[α]27/D −28°, c = 2 in chloroform
mp
115-117 °C (lit.)
transition temp
crystalline phase to cholesteric phase 117.8 °C, cholesteric phase to isotropic phase 125.3 °C
signalword
Danger
hcodes
Hazard Classifications
Skin Corr. 1B
存储类别
8A - Combustible corrosive hazardous materials
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
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