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2685-64-5

2685-64-5 structural image
Product Name: 3β-Acetoxy-5α-bromo-6,19-oxidoandrostan-17-one
Formula: C21H29BrO4
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Benzoyl peroxide appears as odorless white powder or granules. Sinks in water. (USCG, 1999)
Color/Form Crystals
Odor Faint, benzaldehyde-like odor.
Taste Tasteless
Boiling Point Decomposes explosively (NTP, 1992)
Melting Point 217 to 221 °F (decomposes) (NTP, 1992)
Flash Point 176 °F (NIOSH, 2023)
Solubility less than 1 mg/mL at 79 °F (NTP, 1992)
Density 1.334 at 59 °F (USCG, 1999) - Denser than water; will sink
Vapor Pressure less than 0.1 mmHg at 68 °F (NTP, 1992)
LogP log Kow = 3.46
Stability/Shelf Life Stable under recommended storage conditions.
Autoignition Temperature 176 °F (NTP, 1992)
Decomposition Decomposes explosively.
Heat of Combustion 1551.7 kcal/mole
Refractive Index Index of refraction: 1.543
Other Experimental Properties ... Active oxygen approximately 6.5 percent ... decomposes explosively above 105 °C
Chemical Classes Other Classes -> Peroxides, Organic

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07

Environment
GHS09
GHS Hazard Statements H242:Self-reactive substances and mixtures; and Organic peroxides
H317:Sensitisation, Skin
H319:Serious eye damage/eye irritation
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P220:Keep/Store away from clothing/…/combustible materials.
P234:Keep only in original container.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P370+P378:In case of fire: Use … for extinction.

COMPUTED DESCRIPTORS

Molecular Weight 242.23 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 242.05790880 g/mol
Monoisotopic Mass 242.05790880 g/mol
Topological Polar Surface Area 52.6 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 258
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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

Benzoyl peroxide appears as odorless white powder or granules. Sinks in water. (USCG, 1999)