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104-81-4

104-81-4 structural image
Product Name: 4-Methylbenzyl bromide
Formula: C8H9Br
Synonyms: p-Xylyl bromide
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Needles from alcohol; [Merck Index] White crystals, insoluble in water; [MSDSonline]
Color/Form Needles from alcohol
Boiling Point 220 °C
Melting Point 34 °C
Flash Point 98 °C (208 °F) - closed cup
Solubility Insoluble in water
Density 1.324 g/cu cm at 25 °C
Vapor Pressure 0.09 [mmHg]
Stability/Shelf Life Stable under recommended storage conditions.
Decomposition When heated to decomposition it emits toxic fumes of Br-. /Xylyl Bromide/
Other Experimental Properties Hydrolyzes in water
Chemical Classes Other Classes -> Halogenated Monoaromatics

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05
GHS Hazard Statements H314:Skin corrosion/irritation
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P363:Wash contaminated clothing before reuse.
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 185.06 g/mol
XLogP3 3
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 72.6
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

p-Xylyl bromide, also known as methylbenzyl bromide or T-stoff, is a poisonous organic chemical compound, formerly used as a tear gas. Physically it is a colourless liquid (melting point 21 °C) with a pleasant aromatic odour. p-Xylyl bromide is highly toxic, irritant and lachrymatory, and has been incorporated in chemical weapons since the early months of World War I. The first extensive use of xylyl bromide was the firing by German forces of 18,000 "T-shells" at Russian positions in the Battle of Bolimów in January 1915. In the absence of clarification, the name "xylyl bromide" may refer to any one of 3 xylyl isomers (o-Xylyl, p-Xylyl, m-Xylyl) or a mixture of all three.