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106-96-7

106-96-7 structural image
Product Name: propargyl bromide
Formula: C3H3Br
Synonyms: 3-Bromo-1-propyne
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 3-bromopropyne appears as a colorless to light yellow liquid substance with a sharp odor. Flash point 65 °F. Denser than water and insoluble in water. Vapors are heavier than air. May be irritating to skin and eyes. Used to make other chemicals. It may decompose explosively with mild shock.
Color/Form Liquid
Odor Sharp odor
Boiling Point 190 to 194 °F at 760 mmHg (EPA, 1998)
Melting Point -77.9 °F (EPA, 1998)
Flash Point 50 °F (EPA, 1998)
Solubility Soluble in ethanol, ether, benzene, carbon tetrachloride, and chloroform
Density 1.564 to 1.57 (EPA, 1998)
Vapor Density 4.1 (EPA, 1998) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 108.0 [mmHg]
Henry's Law Constant Henry's Law constant = 1.13X10-3 atm-cu m/mol at 25 °C
Stability/Shelf Life When /propargyl bromide/ is ... diluted, ... with 20-30% by weight of toluene, its explosive properties are practically eliminated.
Autoignition Temperature 615 °F (324 °C)
Decomposition May be decomposed by mild shock. Decomposes when heated under confinement. Dilution with toluene reduces the explosive tendency of the material.
Odor Threshold [CAMEO] Odor threshold <2 ppm by volume
Refractive Index Index of refraction = 1.4922 at 20 °C
Kovats Retention Index 630.4
Other Experimental Properties Freezing point = -61.07 °C
Chemical Classes Pesticides -> Fumigants

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Corrosion
Corrosives
GHS05

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H225:Flammable liquids
H301:Acute toxicity,oral
H304:Aspiration hazard
H314:Skin corrosion/irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
H373:Specific target organ toxicity, repeated exposure
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
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 118.96 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 0
Exact Mass 117.94181 g/mol
Monoisotopic Mass 117.94181 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 4
Formal Charge 0
Complexity 38.5
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-bromopropyne appears as a colorless to light yellow liquid substance with a sharp odor. Flash point 65 °F. Denser than water and insoluble in water. Vapors are heavier than air. May be irritating to skin and eyes. Used to make other chemicals. It may decompose explosively with mild shock.

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