819-01-2

Basic information

• Product Name: 1-bromo-3,3,3-trifluoroprop-1-yne
• Synonyms: 1-Propyne, 1-bromo-3,3,3-trifluoro-
• CAS NO: 819-01-2
• Molecular Formula: C₃BrF₃
• Molecular Weight: 172.9313
• Mol File: 819-01-2.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 73.3°C at 760 mmHg
• Density: 1.901g/cm³
• Vapor Pressure: 126mmHg at 25°C
• Refractive Index: 1.401
• CAS DataBase Reference: 1-bromo-3,3,3-trifluoroprop-1-yne(CAS DataBase Reference)
• NIST Chemistry Reference: 1-bromo-3,3,3-trifluoroprop-1-yne(819-01-2)
• EPA Substance Registry System: 1-bromo-3,3,3-trifluoroprop-1-yne(819-01-2)

Safety Data

• Hazardous Substances Data: 819-01-2(Hazardous Substances Data)

Upstream product

• 869583-61-9 potassium trifluoro(3,3,3-trifluoroprop-1-ynyl)boranuide 

Downstream Products

• 71740-89-1 1-Bromo-4,5-dimethyl-2-trifluoromethyl-cyclohexa-1,4-diene 
• 98236-67-0 4-Bromo-1-(4-nitro-phenyl)-5-trifluoromethyl-1H-[1,2,3]triazole 
• 98236-60-3 5-Bromo-1-(4-nitro-phenyl)-4-trifluoromethyl-1H-[1,2,3]triazole 
• 105942-28-7 2-(2,2,2-trifluoroethyl)benzimidazole 
• 98236-64-7 4-Bromo-1-phenyl-5-trifluoromethyl-1H-[1,2,3]triazole 
• 98236-57-8 1-phenyl-4-trifluoromethyl-5-bromo-1,2,3-triazole 

Relevant articles and documents

Reactions of fluoroalk-1-en-1-yltrifluoroborate and perfluoroalk-1-yn-1- yltrifluoroborate salts and selected hydrocarbon analogues with hydrogen fluoride and with halogenating agents in aHF and in basic solvents

The relative rate of the electrophilic hydrodeboration of K[R′BF 3] with HF (27-100%) diminishes in the series R′ = C 4H9CC > C4F9CFCFCC > CF 2C(CF3) > C3F7CC ～ (CF 3)2CFCC > CF3CC. When R′ = CF 3CC the new salt K[CF3CH2-CF2BF 3] was obtained by addition of HF besides CF3CCH and K[BF4]. Small amounts of water caused the formation of K[CF 3CH2-C(O)BF3] as a by-product. The electrophilic halofluorination of perfluoroalkenyltrifluoroborate salts with NCS or NBS in aHF (anhydrous HF) led to K[RFCFHal-CF2BF 3] (from K[RFCFCFBF3]) and K[R FCHal2-CF2BF3] (from K[R FCHalCFBF3] and K[RFCCBF3]) (Hal = Cl, Br). Treatment of K[RFCFCFBF3] and K[R FCCBF3] with 5% F2/N2 in MeCN gave the corresponding salts K[RFCF2-CF2BF 3] in 16-25% isolated yield. Reactions of K[trans-C4F 9CFCFBF3] with Cl2 in MeOH resulted in K[C 4F9CFCl-C(O)BF3] (major product). The latter was also obtained in reactions of K[trans-C4F9CFCFBF 3] with Cl2 in MeCN or sulfolane after sequential methanolysis of the primarily formed products. In contrast, the salts K[RCFCFBF3] (R = CnF2n+1, trans-C 4H9) and K[CF3CCBF3] underwent bromodeboration to RCFCFBr and CF3CCBr, respectively, when they were reacted with bromine in the polar solvents MeOH, MeCN, or sulfolane.