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694-87-1

694-87-1 structural image
Product Name: Benzocyclobutene
Formula: C8H8
Synonyms: Bicyclo[4.2.0]octa-1,3,5-triene
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless liquid; [Sigma-Aldrich MSDS]
Kovats Retention Index 1263 1269 1258 1269 1272
Chemical Classes Other Classes -> Aromatic Hydrocarbons

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Flame
Flammables
GHS02

Health Hazard
GHS08
GHS Hazard Statements H226:Flammable liquids
H304:Aspiration hazard
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P370+P378:In case of fire: Use … for extinction.
P405:Store locked up.
P403+P235:Store in a well-ventilated place. Keep cool.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 104.15 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 0
Exact Mass 104.062600255 g/mol
Monoisotopic Mass 104.062600255 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 74
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

Benzocyclobutene is a carbobicyclic compound that is benzene fused to a cyclobutane ring. It has a role as a metabolite.