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Substance Name: Propargyl bromide
RN: 106-96-7
UNII: F3H7ZXK9ZU
InChIKey: YORCIIVHUBAYBQ-UHFFFAOYSA-N

Molecular Formula

  • C3-H3-Br

Molecular Weight

  • 118.961
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Anti-Bacterial Agents
  • Anti-Infective Agents
  • Fungicide, Bactericide, Wood Preservative
  • Fungicides, Industrial
  • Pesticides

Superlist Classification Code

  • Threshold Planning Quantity (TPQ) = 10 lb
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Names and Synonyms

Name of Substance

  • Propargyl bromide

Synonyms

  • 1-Brom-2-propin
  • 1-Brom-2-propin [Czech]
  • 1-Bromo-2-propyne
  • 1-Propyne, 3-bromo-
  • 2-Propynyl bromide
  • 3-Bromo-1-propyne
  • 3-Bromopropyne
  • 4-01-00-00964 (Beilstein Handbook Reference)
  • AI3-26597
  • BRN 0605309
  • Caswell No. 705
  • EINECS 203-447-1
  • EPA Pesticide Chemical Code 068701
  • gamma-Bromoallylene
  • HSDB 6324
  • NSC 8801
  • Propargyl bromide
  • Propyne, 3-bromo-
  • Propynyl bromide
  • UNII-F3H7ZXK9ZU

Systematic Names

  • 1-Propyne, 3-bromo-
  • 3-Bromopropyne
  • Propyne, 3-bromo-

Superlist Names

  • 1-Propyne, 3-bromo-
  • 3-Bromopropyne
  • 3-Bromopropyne [UN2345] [Flammable liquid]
  • Propargyl bromide
  • UN2345

Registry Numbers

CAS Registry Number

  • 106-96-7

FDA UNII

  • F3H7ZXK9ZU

Other Registry Numbers

  • 1009031-47-3
  • 1187488-61-4
  • 1802649-19-9

System Generated Number

  • 0000106967

Structure Descriptors

InChI

1S/C3H3Br/c1-2-3-4/h1H,3H2

InChIKey

YORCIIVHUBAYBQ-UHFFFAOYSA-N

Smiles

C(CBr)#C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 29ug/kg (0.029mg/kg)   "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 4, Pg. 76, 1969.
rat LD50 oral 53mg/kg (53mg/kg)   Bulletin of the Entomological Society of America. Vol. 12, Pg. 161, 1966.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 89 deg C   EXP
log P (octanol-water) 1.390 (none)   EST
Water Solubility 1.49E+04 mg/L 25 EXP
Vapor Pressure 108 mm Hg 25 EST
Henry's Law Constant 0.00113 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 5.58E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.