| Identification | More | [Name]
3-Bromo-4-chlorobenzotrifluoride | [CAS]
454-78-4 | [Synonyms]
2-BROMO-1-CHLORO-4-(TRIFLUOROMETHYL)BENZENE
3-BROMO-4-CHLORO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE
3-BROMO-4-CHLOROBENZOTRIFLUORIDE
3-Bromo-4-chloro-α,α,α-trifluorotoluene
Benzene, 2-bromo-1-chloro-4-(trifluoromethyl)-
Benzene,2-bromo-1-chloro-4-(trifluoromethyl)-
3-Bromo-4-Chlorobenzotrifuoride
3-Bromo-4-chlorobenzotrifluoride 97%
3-Bromo-4-chlorobenzotrifluoride97%
3-Bromo-4-chluobenzotrifluoride
3-BROMO-4-CHLOROBENZOTRIFLUORIDE, 98+%
2-Chloro-5-(trifluoromethyl)phenyl bromide
4-Chloro-3-bromobenzotrifluoride | [EINECS(EC#)]
207-226-0 | [Molecular Formula]
C7H3BrClF3 | [MDL Number]
MFCD00018093 | [Molecular Weight]
259.45 | [MOL File]
454-78-4.mol |
| Chemical Properties | Back Directory | [Appearance]
colorlesstolightyellowliqui | [Melting point ]
−23-−22 °C(lit.) | [Boiling point ]
188-190 °C(lit.) | [density ]
1.726 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.499(lit.)
| [Fp ]
202 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Liquid | [color ]
Clear very slightly yellow | [Specific Gravity]
1.726 | [BRN ]
1638470 | [InChI]
InChI=1S/C7H3BrClF3/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3H | [InChIKey]
APSISOSWYXCEQX-UHFFFAOYSA-N | [SMILES]
C(F)(F)(F)C1=CC=C(Cl)C(Br)=C1 | [CAS DataBase Reference]
454-78-4(CAS DataBase Reference) | [NIST Chemistry Reference]
3-Bromo-4-chlorobenzotrifluoride(454-78-4) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,C | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R34:Causes burns. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S36/39:Wear suitable protective clothing and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT, IRRITANT-HARMFUL | [HS Code ]
29039990 |
| Hazard Information | Back Directory | [Chemical Properties]
colorlesstolightyellowliqui | [Uses]
3-Bromo-4-chlorobenzotrifluoride serves as a starting material for synthesizing 2,2,6-tris(trifluoromethyl)-2H-chromene via palladium-catalyzed coupling with trimethylsilylacetylene followed by further reactions[1]. | [Synthesis Reference(s)]
Journal of the American Chemical Society, 72, p. 1651, 1950 DOI: 10.1021/ja01160a063 | [References]
[1]Sosnovskikh, V. Y., Usachev, B. I., Sevenard, D. V., & Röschenthaler, G.-V. (2005). Nucleophilic trifluoromethylation of RF-containing 4-quinolones, 8-aza- and 1-thiochromones with (trifluoromethyl)trimethylsilane. Journal of Fluorine Chemistry, 126(5), 779–784. https://doi.org/10.1016/j.jfluchem.2005.03.001
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