431-21-0

Basic information

• Product Name: 1,2-DIBROMO-3,3,3-TRIFLUOROPROPANE
• Synonyms: HCFC-243DAB2;1,2-DIBROMO-3,3,3-TRIFLUOROPROPANE;2,3-DIBROMO-1,1,1-TRIFLUOROPROPANE;1,2-dibromo-3,3,3-trifluoro-propan;2,3-dibromo-1,1,1-trifluoro-propan;Propane, 1,2-dibromo-3,3,3-trifluoro-;Propane, 2,3-dibromo-1,1,1-trifluoro-;1,2-Dibromo-3,3,3-trifluoropropane98%
• CAS NO: 431-21-0
• Molecular Formula: C₃H₃Br₂F₃
• Molecular Weight: 255.86
• Mol File: 431-21-0.mol

Chemical Properties

• Boiling Point: 115-116°C
• Flash Point: 25.4 °C
• Appearance: /
• Density: 2,117 g/cm3
• Vapor Pressure: 4.74mmHg at 25°C
• Refractive Index: 1.4285
• CAS DataBase Reference: 1,2-DIBROMO-3,3,3-TRIFLUOROPROPANE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2-DIBROMO-3,3,3-TRIFLUOROPROPANE(431-21-0)
• EPA Substance Registry System: 1,2-DIBROMO-3,3,3-TRIFLUOROPROPANE(431-21-0)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• HazardClass: IRRITANT
• Hazardous Substances Data: 431-21-0(Hazardous Substances Data)

Usage

Uses

Used in Pesticide Industry:
1,2-Dibromo-3,3,3-trifluoropropane is used as a pesticide and fumigant for its effectiveness in controlling pests. Its high reactivity contributes to its potency in eliminating a wide range of pests, making it a valuable tool in agricultural and other settings where pest control is critical.
However, due to the severe health risks and environmental concerns associated with 1,2-Dibromo-3,3,3-trifluoropropane, its use and production are heavily regulated in many countries to mitigate the potential long-term effects and ensure safety standards are maintained.

InChI:InChI=1/C3HBr2F3/c4-1-2(5)3(6,7)8/h1H/b2-1-

Upstream product

• 460-35-5 3-chloro-1,1,1-trifluoropropane 
• 17760-01-9 2,3-dibromo-1,1,1-trichloro-propane 
• 677-21-4 1,1,1-trifluoropropylene 
• 600-05-5 2,3-dibromopropionic acid 
• 7783-56-4 antimony(III) fluoride 

Downstream Products

• 1514-82-5 2-bromo-3,3,3-trifluoropropene 
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• 69843-09-0 1-methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene 
• 69843-11-4 1-chloro-3-(3,3,3-trifluoroprop-1-en-2-yl)benzene 
• 384-64-5 3,3,3-trifluoro-2-phenylpropene 
• 115630-65-4 (-)-menthyl 2-(trifluoromethyl)propenate 
• 111339-17-4 benzyl 2-(trifluoromethyl)prop-2-enoate 
• 775320-72-4 3-(t-butyloxy)-2-(trifluoromethyl)propionic acid t-butyl ester 
• 105935-24-8 α-trifluoromethylacrylic acid t-butyl ester 
• 775320-83-7 3-cyclohexylmethyloxy-2-(trifluoromethyl)propionic acid cyclohexylmethyl ester 
• 188739-82-4 2-trifluoromethyl acrylic acid 1-admantyl ester 
• 777859-82-2 3-(1-adamantyloxy)-2-(trifluoromethyl)propionic acid 1-adamantyl ester 
• 775320-89-3 3-cyclohexyloxy-2-(trifluoromethyl)propionic acid cyclohexyl ester 

Relevant articles and documents

PREPARATION OF 2,3,3,3-TETRAFLUOROPROPENE, INTERMEDIATE AND COMPOSITION THEREOF

The present invention provides a process for preparation of 2,3,3,3-tetrafluoropropene, intermediate and composition thereof. Fluoro olefins play an important role as refrigerants. In recent years a fluoro olefin viz. 2,3,3,3-tetrafluoropropene (HFO-1234yf) has attracted attention as a new refrigerant to replace another fluorinated refrigerants.

STABILIZED 2-BROMO-3,3,3-TRIFLUOROPROPENE COMPOSITION AND METHOD FOR PRODUCING THE SAME, AND METHOD FOR STABILIZING THE SAME

PROBLEM TO BE SOLVED: To provide a composition in which unstable 2-bromo-3,3,3-trifluoropropene is stabilized and a method therefor. SOLUTION: Water of 50 μg/g or more is added to 2-bromo-3,3,3-trifluoropropene, to stabilize 2-bromo-3,3,3-trifluoropropene. SELECTED DRAWING: None COPYRIGHT: (C)2018,JPOandINPIT

The study of thermal decomposition of 2-bromo-3,3, 3-trifluoropropene and its fire-extinguishing mechanism

As a new kind of Halon replacement, 2-bromo-3,3,3-trifluoropropene (BTP) is highly effective at fire suppression with an extinguishment concentration lower than that of Halon 1301. Although the physical properties and extinguishing characteristics of BTP have been widely reported, there are relatively few studies on its thermal pyrolysis and extinguishing mechanisms. In this study, the thermal decomposition of BTP was studied over a temperature range of 25-800 8C and the decomposition products were analyzed by GC and GC-MS. Experimental results showed that the decomposition products were mainly trifluoropropyne (CF3CCH) and/or bromotrifluoromethane (CF3Br). The calculated apparent activation energies for the thermal pyrolysis of BTP by first order reaction approximation were in excellent agreement with the theoretical calculation results by Gaussian 03. Furthermore, by analyzing decomposition products and their chemical inhibition effect, thermal decomposition mechanism of BTP and its chemical extinguishing mechanism at high temperature were then proposed.

PROCESSES FOR SYNTHESIS OF 1,3,3,3-TETRAFLUOROPROPENE AND 2,3,3,3-TETRAFLUOROPROPENE

Disclosed in one embodiment is a process for the synthesis of 1,3,3,3-tetrafluoropropene that comprises (a) reacting a compound of formula (I) X1X2 with a compound of formula (II) CF3CH=CH2 to produce a reaction product comprising a compound of formula (III) CF3CHX1CH2X2, wherein X1 and X2 are each independently selected from the group consisting of hydrogen, chlorine, bromine and iodine, provided that X1 and X2 are not both hydrogen; (b) when X2 in formula (III) is not fluorine, fluorinating the compound of formula (III) to produce a reaction product comprising a compound of formula (III) wherein X1 is as described above and X2 is fluorine; and (c) exposing said compound of formula (III) to reaction conditions effective to convert said compound to 1,3,3,3,-tetrafluoropropene. In another embodiment, the process comprises (a) reacting chlorine with a compound of formula (I) CH3CH=CH2 to produce a reaction product comprising a compound of formula (II) CCI3CHC1CH2C1; (b) fluorinating the compound of formula (II) to produce a reaction product comprising a compound of formula (III) CF3CHC1CH2F; and (c) exposing said compound of said formula (III) to reaction conditions effective to convert said compound to 1,3,3,3-tetrafluoropropene.

Reactions of gaseous, halogenated propene radical cations with ammonia: A study of the mechanism by Fourier transform ion cyclotron resonance

The gas-phase ion-molecule reactions of the radical cations of 2-chloropropene (1+.), 2-bromopropene (2+.), and 2-iodopropene (3+.), as well as of the corresponding three 3,3,3-trifluoropropenes (4+.- 6+.) with ammonia have been studied by FT-ICR mass spectrometry complemented by ab initio calculations of the reaction thermochemistry. In all cases a deprotonation of the 2-halopropene radical cations by ammonia is distinctly exothermic. In spite of this, the substitution of the halo substituent by NH3 is the main reaction pathway for 1+. and 2+. and is still competing for the slowly reacting iodo derivative 3+.. In the latter case deprotonation generates not only NH(4/+), but also the proton-bridged dimer [H3N·· H+··NH3]. These effects prove that the first addition step of the substitution by an addition-elimination mechanism of the haloalkene radical cations can compete effectively with exothermic deprotonation and occurs without noticeable activation energy. In fact it appears likely that the deprotonation of the unsaturated radical cations proceeds also by an addition-elimination process. The calculation of the reaction enthalpy shows that addition of NH3 to the ionized 3,3,3-trifluoro-2-halopropenes 4+.-6+. is especially exothermic. Experimentally this effect is not only reflected in the increased reaction efficiency of the substitution product, even in the case of the iodo derivative 6+., but also in competing fragmentations of the strongly excited distonic intermediates generated by the addition step. This corroborates the postulate that the variation of the rate constants with the substituents, which is observed for the reactions of ionized haloalkenes with ammonia, is caused by the excess energy released in the initial addition step.

Preparation of (R)- and (S)-3-Hydroxy-2-(trifluoromethyl)propionic Acid by Resolution with (R,R)- and (S,S)-2-Amino-1-phenylpropane-1,3-diol

Racemic 2-trifluoromethyl-3-hydroxypropionic acid (rac-1) is prepared on a 50 g scale from 3,3,3-trifluoropropene in four steps, the overall yield being 40percent.A procedure for the resolution of rac-1 with 2-amino-1-phenylpropane-1,3-diol is described (25 g scale).The acids (R)-1 and (S)-1 are isolated, their enantiomer purities determined by GC analysis of the corresponding methyl esters on a chiral column and their chirality senses assigned from an X-ray crystal structure of the salt formed with phenylethylamine.The non-fluorinated analog of 1 is frequently employed as a chiral synthetic building block ("Roche acid").

FLUORINATED ALLENES: THE SYNTHESES OF 1-FLUOROPROPADIENE, 1,1-DIFLUOROPROPADIENE AND 1,1-DIFLUORO-3-METHYL-1,2-BUTADIENE

Improved syntheses of 1-fluoropropadiene and 1,1-difluoropropadiene are presented as is the synthesis of a third reactive allene, 1,1-difluoro-3-methyl-1,2-butadiene.Gram quantities of these highly reactive fluorinated allenes may be prepared conveniently in high yield and purity.All three are reactive dienophiles and cycloadd regiospecifically using their non-fluorine-substituted double bonds.