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503-60-6

503-60-6 structural image
Product Name: 1-Chloro-3-methyl-2-butene
Formula: C5H9Cl
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless liquid; [MSDSonline]
Boiling Point 109 °C @ 760 MM HG
Solubility INSOL IN WATER; SOL IN ALCOHOL, ETHER, ACETONE; VERY SOL IN CHLOROFORM
Density 0.9273 @ 20 °C/4 °C
Refractive Index INDEX OF REFRACTION: 1.4485 @ 20 °C/D
Kovats Retention Index 751 760
Chemical Classes Other Classes -> Halogenated Aliphatics, Unsaturated

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H225:Flammable liquids
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
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.
P241:Use explosion-proof electrical/ventilating/lighting/…/equipment.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 104.58 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 1
Exact Mass 104.0392780 g/mol
Monoisotopic Mass 104.0392780 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 6
Formal Charge 0
Complexity 51
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