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84-16-2

84-16-2 structural image
Product Name: HEXESTROL
Formula: C18H22O2
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form NEEDLES FROM BENZENE, THIN PLATES FROM DIL ALC
Odor ODORLESS
Melting Point 185
Solubility FREELY SOL IN ETHER; SOL IN ACETONE, ALCOHOL, METHANOL, DILUTE SOLN OF ALKALI HYDROXIDES, VEGETABLE OILS UPON SLIGHT WARMING; SLIGHTLY SOL IN BENZENE, CHLOROFORM; PRACTICALLY INSOL IN WATER, DIL MINERAL ACIDS
Stability/Shelf Life SENSITIVE TO LIGHT
Refractive Index INDEX OF REFRACTION: 1.495 (ALPHA), 1.565 (BETA), 1.687 (GAMMA)
Other Experimental Properties AXIAL ANGLE: 2V= 80 DEG; OPTIC SIGN: +

SAFETY INFORMATION

Signal word Danger
Pictogram(s)
GHS08
Health Hazard
GHS08
GHS Hazard Statements H350:Carcinogenicity
Precautionary Statement Codes P201:Obtain special instructions before use.
P202:Do not handle until all safety precautions have been read and understood.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P308+P313:IF exposed or concerned: Get medical advice/attention.
P405:Store locked up.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 270.4 g/mol
XLogP3 5.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 5
Exact Mass 270.161979940 g/mol
Monoisotopic Mass 270.161979940 g/mol
Topological Polar Surface Area 40.5 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 235
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

A synthetic estrogen that has been used as a hormonal antineoplastic agent.