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About This Item
Empirical Formula (Hill Notation):
C27H45Cl
CAS Number:
Molecular Weight:
405.10
UNSPSC Code:
12352103
NACRES:
NA.23
PubChem Substance ID:
EC Number:
213-004-4
Beilstein/REAXYS Number:
2703655
MDL number:
assay
97%
form
liquid crystal
optical activity
[α]25/D −24°, c = 1 in chloroform
mp
94-96 °C (lit.)
SMILES string
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@]12C
InChI
1S/C27H45Cl/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChI key
OTVRYZXVVMZHHW-DPAQBDIFSA-N
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Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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