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106-96-7

106-96-7 Structure

106-96-7 Structure
IdentificationMore
[Name]

3-Bromopropyne
[CAS]

106-96-7
[Synonyms]

3-BROMO-1-PROPYNE
3-BROMOPROPYNE
G-BROMOALLYLENE
PROPARGYL BROMIDE
1-Brom-2-propin
1-Bromo-2-propyne
2-Propynyl bromide
3-bromo-1-propyn
3-bromo-propyn
-Bromo-propyne
gamma-Bromoallylene
Progargyl bromide
propargyl
propargylbromide101
Propyne, 3-bromo-
ProPargyl Bromide 97% min or 80% in Toluene
PROPARGYL BROMIDE, 80 WT. % SOLUTION IN TOLUENE
PROPARGYL BROMIDE SOLUTION, ~80% IN TOLU ENE, STAB.
PROPARGYL BROMIDE, 80 WT. % SOLUTION IN
Propargyl bromide, 80 wt% solution in toluene, stabilized
[EINECS(EC#)]

203-447-1
[Molecular Formula]

C3H3Br
[MDL Number]

MFCD00000241
[Molecular Weight]

118.96
[MOL File]

106-96-7.mol
Chemical PropertiesBack Directory
[Appearance]

yellow solution
[Melting point ]

-61°C
[mp ]

-61°C
[Boiling point ]

97 °C
[bp ]

97 °C
[density ]

1.38 g/mL at 20 °C
[refractive index ]

n20/D 1.494
[Fp ]

65 °F
[storage temp. ]

Refrigerator
[form ]

Liquid
[color ]

Colorless - Yellow
[Water Solubility ]

Miscible with ethanol, ether, benzene, carbon tetrachloride and chloroform. Immiscible with water.
[Sensitive ]

Light Sensitive
[BRN ]

605309
[InChIKey]

YORCIIVHUBAYBQ-UHFFFAOYSA-N
[CAS DataBase Reference]

106-96-7(CAS DataBase Reference)
[NIST Chemistry Reference]

1-Propyne, 3-bromo-(106-96-7)
[EPA Substance Registry System]

106-96-7(EPA Substance)
Questions And AnswerBack Directory
[Uses]

Propargyl Bromide is used in the synthesis of betulonic acid-peptide conjugates with anti-inflammatory activity. Also used in the synthesis of PEG and peptide-grafted polyesters.
Safety DataBack Directory
[Hazard Codes ]

F,T,C
[Risk Statements ]

R60:May impair fertility.
R61:May cause harm to the unborn child.
R20/21:Harmful by inhalation and in contact with skin .
R25:Toxic if swallowed.
R63:Possible risk of harm to the unborn child.
R36/37/38:Irritating to eyes, respiratory system and skin .
R11:Highly Flammable.
R67:Vapors may cause drowsiness and dizziness.
R65:Harmful: May cause lung damage if swallowed.
R48/20:Harmful: danger of serious damage to health by prolonged exposure through inhalation .
[Safety Statements ]

S53:Avoid exposure-obtain special instruction before use .
S16:Keep away from sources of ignition-No smoking .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
[RIDADR ]

UN 2345 3/PG 2
[WGK Germany ]

3
[RTECS ]

UK4375000
[F ]

8
[Hazard Note ]

Highly Flammable/Toxic/Corrosive
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29033990
[Safety Profile]

A poison by ingestion. A dangerous fire hazard when exposed to heat or flame. The aerated liquid may be ignited by pressure. A dangerous, extremely shock-sensitive explosive. It can detonate when heated to 22O°C, by impact (especially when mixed with chloropicrin), or when heated whde confined. May explode on contact with copper, high copper alloys, mercury, or silver. Mixtures with trichloronitromethane are shockand heat- sensitive explosives. Can react vigorously with oxidizing materials. To fight fire, use water, foam, CO2, dry chemical. When heated to decomposition it emits highly toxic fumes of Br-. See also ACETYLENE COMPOUNDS and BROMIDES.
[Hazardous Substances Data]

106-96-7(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
【Raw materials】

Propargyl alcohol-->2,3-Dibromopropene-->1,3-DIBROMO-1-PROPENE
【Preparation Products】

2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one-->2-AMINOPENT-4-YNENITRILE-->Terbinafine-->2,4,5-Trichlorophenyl-propynyl ether-->HALOPROGIN (200 MG)-->(+/-)-1,2-DIPHENYLETHYLENEDIAMINE-->NISTC10024187-->2,3-Dibromopropene-->1,3,5-Tris(bromomethyl)benzene-->pinazepam-->Mandipropamid-->1,2-Hexadien-5-yne-->alpha-cyclopropylstyrene-->1,3-Hexadien-5-yne.
Hazard InformationBack Directory
[General Description]

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. 3-BROMOPROPYNE(106-96-7) may decompose explosively with mild shock.
[Reactivity Profile]

3-BROMOPROPYNE is soluble in alcohol, ether, chloroform, carbon tetrachloride and carbon disulfide. 3-BROMOPROPYNE is highly flammable and a dangerous fire risk, sensitive to shock. 3-BROMOPROPYNE is used in organic syntheses, preparation of resins and perfume intermediates [Hawley]. There is a high danger of formation of explosive metal acetylides, when this compound comes in contact with copper, high-copper alloys, mercury, or silver.
[Air & Water Reactions]

Highly flammable. Insoluble in water.
[Hazard]

Flammable, dangerous fire and explosion risk. Irritant.
[Health Hazard]

This material is very toxic via the oral route. If inhaled, may be harmful; contact may cause burns to skin and eyes.
[Fire Hazard]

This material detonates at 428F or more; ignites by impact. Emits highly toxic fumes of bromides when heated to decomposition. Reacts vigorously with oxidizing materials. Becomes shock-sensitive when mixed with chloropicrin. Unstable, avoid heat, flame, shock, and other chemicals
[Description]

Propargyl bromide is a Shock sensitive liquid, lachrymator. Supplied as an 80% solution in toluene stabilized with magnesium oxide. Alternative formulations are currently under development.
[Chemical Properties]

yellow solution
[Synthesis Reference(s)]

Tetrahedron Letters, 4, p. 483, 1963 DOI: 10.1039/jr9630005127
[Pharmacology]

Mode of action is considered to be reaction with nucleophiles in living organisms.
[Metabolism]

Reacts slowly with water to yield propargyl alcohol and bromide ion. It is expected to move as a typical fumigant through the soil. Probably not an ozone-depleting substance due to decomposition on absorption of ultraviolet light.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Bromopropyne(106-96-7).msds
Spectrum DetailBack Directory
[Spectrum Detail]

3-Bromopropyne(106-96-7) 13C NMR
3-Bromopropyne(106-96-7) IR1
3-Bromopropyne(106-96-7) 1H NMR
3-Bromopropyne(106-96-7) MS
3-Bromopropyne(106-96-7) ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Propargyl bromide, 80 wt% solution in toluene, stabilized(106-96-7)
[Alfa Aesar]

Propargyl bromide, 97%, 80% w/w in toluene(106-96-7)
[Sigma Aldrich]

106-96-7(sigmaaldrich)
[TCI AMERICA]

Propargyl Bromide  (stabilized with MgO),>97.0%(GC)(106-96-7)
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