104359-35-5

Basic information

• Product Name: 2,6-Dichloro-Benzotrifluoride
• Synonyms: 1,3-Dichloro-2-(trifluoromethyl)benzene;1,3-Dichloro-2-(trifluoromethyl)benzene, 2,6-Dichloro-alpha,alpha,alpha-trifluorotoluene;2,6-Dichloro-Benzotrifluoride
• CAS NO: 104359-35-5
• Molecular Formula: C₇H₃Cl₂F₃
• Molecular Weight: 214.9999296
• Mol File: 104359-35-5.mol

Chemical Properties

• Boiling Point: 202.1 °C at 760 mmHg
• Flash Point: 83.1 °C
• Appearance: /
• Density: 1.464 g/cm³
• Vapor Pressure: 0.422mmHg at 25°C
• Refractive Index: 1.47
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 2,6-Dichloro-Benzotrifluoride(CAS DataBase Reference)
• NIST Chemistry Reference: 2,6-Dichloro-Benzotrifluoride(104359-35-5)
• EPA Substance Registry System: 2,6-Dichloro-Benzotrifluoride(104359-35-5)

Safety Data

• Hazard Codes: T
• Hazardous Substances Data: 104359-35-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
2,6-Dichloro-Benzotrifluoride is used as a chemical intermediate for the synthesis of various pharmaceuticals. Its unique structure allows for the creation of a wide range of drug molecules, contributing to the development of new medications.
Used in Pesticide Industry:
2,6-Dichloro-Benzotrifluoride is used as a precursor in the production of certain pesticides. Its chemical properties enable the creation of effective compounds that can be used to control pests in agriculture and other settings.
Used in Chemical Industry:
2,6-Dichloro-Benzotrifluoride is used as a building block in the synthesis of other organic compounds. Its stability and reactivity make it a valuable component in the creation of various chemical products.
Safety Note:
It is important to handle 2,6-Dichloro-Benzotrifluoride with care, as it can cause irritation to the eyes, skin, and respiratory tract. Proper safety measures should be taken to minimize exposure and ensure the well-being of those working with this compound.

InChI:InChI=1/C7H3Cl2F3/c8-4-2-1-3-5(9)6(4)7(10,11)12/h1-3H

Upstream product

• 541-73-1 1,3-Dichlorobenzene 
• 19230-28-5 1,3-dichloro-2-iodobenzene 
• 81290-20-2 (trifluoromethyl)trimethylsilane 

Downstream Products

• 19230-28-5 1,3-dichloro-2-iodobenzene 
• 1437779-70-8 2-(3,5-dichloro-4-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
• 1437779-71-9 1,3-dichloro-2-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene 
• 1437779-32-2 5-(5-(3,5-dichloro-4-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-4,5-dihydro isoxazol-3-yl)-3,3-dimethyl-benzo[c][1,2]oxaborol-1(3H)-ol 

Relevant articles and documents

Proton mobility in 2-substituted 1,3-dichlorobenzenes: "ortho" or "meta" metalation?

Nine 1,3-dichlorobenzene congeners were selected as model compounds to assess the relative rates of proton abstraction from 4- and 5-positions ("ortho" vs. "meta" metalation). Using lithium 2,2,6,6-tetramethylpiperidide as the basic reagent, the chlorine-adjacent 4-position underwent metalation exclusively. In contrast, attack at the chlorine-remote 5-posi" tion became significant even in the case of moderately sized 2-substituents (such as dimethylamino or ethyl) when secbutyllithium was employed. The "ortho/para" (4-/5-) ratios ranged from 80:20 to 65:35. The more pronounced "meta-orienting" effect of silicon as opposed to carbon substituents can be attributed to dissimilarities in the n polarization of the aromatic ring. Wiley-VCH Verlag GmbH & Co. KGaA, 2006.

Metalation and derivatization of all six dichlorobenzotrifluorides: Site selectivities

The metalation of 2,3-, 2,6-, 2,4- and 3,5-dichlorobenzotrifluorides can be readily effected with standard reagents such as lithium diisopropylamide, lithium 2,2,6,6-tetramethylpiperidide, and butyllithium at the chlorine-adjacent 4- and 3-positions and t