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77-79-2

77-79-2 structural image
Product Name: 3-SULFOLENE
Formula: C4H6O2S
Synonyms: 2,5-Dihydrothiophene 1,1-dioxide, Butadiene sulfone;2,5-Dihydrothiophene-1,1-dioxide;3-Sulfolene
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 3-sulfolene appears as white crystals with a pungent odor. Melting point 64-65.5 °C.
Color/Form CRYSTALS
Boiling Point Decomposes (NTP, 1992)
Melting Point 147 to 149 °F (NTP, 1992)
Flash Point 235 °F (NTP, 1992)
Solubility 50 to 100 mg/mL at 61 °F (NTP, 1992)
Density 1.3 at 59 °F (NTP, 1992) - Denser than water; will sink
Vapor Pressure 0.34 [mmHg]
LogP log Kow= -1.448
Chemical Classes Other Classes -> Sulfur Compounds

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H319:Serious eye damage/eye irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
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.
P337+P313:IF eye irritation persists: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 118.16 g/mol
XLogP3 -0.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 118.00885060 g/mol
Monoisotopic Mass 118.00885060 g/mol
Topological Polar Surface Area 42.5 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 156
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

3-sulfolene appears as white crystals with a pungent odor. Melting point 64-65.5 °C.