424765
1,3,5-tris(trifluoromethyl)benzene
97%
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About This Item
Fórmula linear:
C6H3(CF3)3
Número CAS:
Peso molecular:
282.11
Número MDL:
Código UNSPSC:
12352100
ID de substância PubChem:
NACRES:
NA.22
Produtos recomendados
Nível de qualidade
Ensaio
97%
Formulário
liquid
índice de refração
n20/D 1.359 (lit.)
p.e.
120 °C/750 mmHg (lit.)
densidade
1.514 g/mL at 25 °C (lit.)
grupo funcional
fluoro
cadeia de caracteres SMILES
FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI
1S/C9H3F9/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16,17)18/h1-3H
chave InChI
ZMAUHKSOLPYPDB-UHFFFAOYSA-N
Descrição geral
1,3,5-tris(trifluoromethyl)benzene is a tri-substituted benzene. It has been synthesized by reacting benzene-1,3,5-tricarboxylic acid with SF4. Reports suggest that 1,3,5-tris(trifluoromethyl)benzene is a nonanesthetics and shows convulsant properties. Its vapor absorption spectra and corresponding solution spectra has been investigated. Its reaction with methyl lithium has been analyzed using semiempirical reaction modelling.
Aplicação
1,3,5-tris(trifluoromethyl)benzene was used as a starting material in the synthesis of bis(2,4,6-tris(trifluoromethyl)phenyl)chloropnictines.
It may be used as a starting material in the synthesis of 2,4,6-tris(trifluoromethyl)benzoic acid by reacting with n-butyllithium and carbon dioxide and in the synthesis of lithio derivative, via direct metalation with n-butyllithium.
It may be used as a starting material in the synthesis of 2,4,6-tris(trifluoromethyl)benzoic acid by reacting with n-butyllithium and carbon dioxide and in the synthesis of lithio derivative, via direct metalation with n-butyllithium.
Palavra indicadora
Warning
Frases de perigo
Declarações de precaução
Classificações de perigo
Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
Órgãos-alvo
Respiratory system
Código de classe de armazenamento
3 - Flammable liquids
Classe de risco de água (WGK)
WGK 3
Ponto de fulgor (°F)
109.4 °F - closed cup
Ponto de fulgor (°C)
43 °C - closed cup
Equipamento de proteção individual
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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The Near Ultraviolet Absorption Spectra of 1,4 Bis-(Trifluoromethyl) Benzene and 1,3,5 Tris-(Trifluoromethyl) Benzene.
Cooper CD and Noegel FW.
J. Chem. Phys., 20(12), 1903-1907 (1952)
Brooker S, et al.
Organometallics, 11(1), 192-195 (1992)
New Aspects of the Chemistry of 2,4,6-tris(trifluoromethyl) benzoic acid and related compounds.
Filler R, et al.
Journal of Fluorine Chemistry, 52(1), 99-105 (1991)
Synthesis and Characterization of Bis(2,4,6-tris(trifluoromethyl) phenyl) Derivatives of Arsenic and Antimony: X-ray Crystal Structures of As(RF)2Cl, Sb(RF)2Cl, and Sb(RF)2OSO2CF3.
Burford N, et al.
Organometallics, 19(2), 152-155 (2000)
Unusual reactivity of poly (trifluoromethyl) benzenes. Semiempirical reaction modelling.
Koroniak H, et al.
Journal of Molecular Structure, 351, 187-195 (1995)
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