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Vitamin D4

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Vitamin D4 / CAS : 511-28-4

Appearance solid UN 2811
HS 29362900 DG Class 6.1
Synonyms 22,23-Dihydroercalciol; 24S-Methylcalciol; (3S,5Z,7E)-9,10-Secoergosta-5,7,10-Trien-3-Ol; 22,23-Dihydroergocalciferol
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Properties

Summary

Formula
C28H46O
Molecular Mass
398.66400
Exact Mass
398.35500
PSA
20.23000
Logp
7.86500
IUPAC
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
SMILES
CC(C)C(C)CCC(C)C1CCC2[C@@]1(CCCC2=CC=C3CC(CCC3=C)O)C

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Raw Materials

Chemical and Physical Properties

Melting Point
83-86 °C
Density
0.96 g/cm3
Boiling Point
504.9ºC
Flash Point
219.2ºC
Appearance
solid

Export information

HS Code
29362900
Export Rebate
13%
UN No.
2811
DG-Class
6.1
Risk Code
R24/25; R26; R48/25
Safety Label
T+

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