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585-71-7

585-71-7 structural image
Product Name: (1-Bromoethyl)benzene
Formula: C8H9Br
Synonyms: α-Methylbenzyl bromide
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Clear colorless liquid; [MSDSonline]
Boiling Point 94 °C at 16 mm Hg
Melting Point -65 °C
Flash Point 96 °C
Solubility SOL IN ALC & ETHER /DL & D FORMS/
Density Density = 1.356
Vapor Density 6.4
Refractive Index INDEX OF REFRACTION: 1.5612 @ 20 °C/D /DL & D FORMS/
Kovats Retention Index 1139
Other Experimental Properties DECOMP IN HOT WATER /DL FORM/
Chemical Classes Other Classes -> Halogenated Monoaromatics

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
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 185.06 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 1
Exact Mass 183.98876 g/mol
Monoisotopic Mass 183.98876 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 74.6
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes