 Home > Encyclopedia > 3-Fluorobenzotrifluoride

3-Fluorobenzotrifluoride

3-Fluorobenzotrifluoride structure

CAS No:
401-80-9
Formula:
C7H4F4
Chemical Name:
3-Fluorobenzotrifluoride
Synonyms:
Benzene,1-fluoro-3-(trifluoromethyl)-;Toluene,m,α,α,α-tetrafluoro-;1-Fluoro-3-(trifluoromethyl)benzene;m-Fluorobenzotrifluoride;Trifluoromethyl-3-fluorobenzene;m,α,α,α-Tetrafluorotoluene;3-Fluorobenzotrifluoride;m-Fluoro(trifluoromethyl)benzene;3-Fluoro(trifluoromethyl)benzene;m-(Trifluoromethyl)fluorobenzene;NSC 10315;α,α,α,3-Tetrafluorotoluene
Categories:
Organic Chemistry > Organic Fluorine Compound

Request for Quotation

Description

Clear colourless to light yellow liquid

3-Fluorobenzotrifluoride Basic Attributes

Molecular Weight：

164.1

Exact Mass：

164.10

BRN：

2045664

EC Number：

206-933-1

NSC Number：

10315

DSSTox ID：

DTXSID20193140

HScode：

2903999090

Characteristics

PSA：

XLogP3：

3.4

Density：

1.2891 g/cm³ @ Temp: 25.4 °C

Melting Point：

-81.5 °C

Boiling Point：

101.5 °C

Flash Point：

45 °F

Refractive Index：

1.406

Storage Conditions：

2-8°C

Safety Information

Packing level：

Ⅱ

Hazard category：

Transport codes：

UN 1993 3/PG 2

wgk germany：

hazard class code：

11-36/37/38

safety instructions：

16-26-36-24/25-33-7/9

Marks：

F,Xi

Hazard note：

Flammable/Irritant

Precautionary statement(s)：

P210-P261-P305 + P351 + P338

Hazard Statements：

H225-H315-H319-H335

3-Fluorobenzotrifluoride Use and Manufacturing

Methods of Manufacturing

Before describing the examples in detail, the procedure which is used in all the examples is specified. An aminoaromatic compound in a solvent (o-dichlorobenzene or benzonitrile) is slowly introduced onto a BFGeneral procedure: A FEP or PFA reactor equipped with a Teflon-lined magnetic stir bar and connected to a gas-washing bottle was charged with substituted benzene (0.95–1.10 mmol), 1, 1, 1, 3, 3-pentafluorobutane (1–2 mL per mmol of C6H5R), and BF3 · Et2O (1.3–1.5 mmol per mmol of C6H5R). The mixture was stirred for 10–15 min at 0–5°C (ice bath), and XeF2 (1.2–1.3 mmol per mmol of C6H5R) was added in portions. After addition of each portion, the mixture was stirred for 3–5 min at 22–25°C and cooled again. When the addition was complete the dark solution was stirred for 15–30 min at 22–25°C, 10percent aqueous KHCO3 was added, and the upper organic layer was separated, passed through a short column charged with silica gel (40–60 μm), and dried over MgSO4. The solution was analyzed by 19F NMR and GC/MS. The main products are given in table, and the others are listed below (GC/MS data).

Uses

3-Fluorobenzotrifluorideis a fluorniated toluene used in photochemical reactions with aliphatic amines as well as in photocycloaddition reactions.

Computed Properties

Molecular Weight:164.10
XLogP3:3.4
Hydrogen Bond Acceptor Count:4
Exact Mass:164.02491278
Monoisotopic Mass:164.02491278
Heavy Atom Count:11
Complexity:129
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Trifluoroacetic acid

Sodium nitrite

Recommended Suppliers of 3-Fluorobenzotrifluoride

Hangzhou KieRay Chem Co.,LTD Contact Supplier

CN
5 YRS

Business licensed Certified factory

Manufactory Supplier of fine chemicals,pharmaceutical materials

3-Fluorobenzotrifluoride

CAS No.: 401-80-9

Grade: industrial Grade

Content: 98%

Inquiry
Shandong Ranhang Biotechnology Co., Ltd. Contact Supplier

CN
3 YRS

Business licensed

Trader Supplier of chemical

3-Fluorobenzotrifluoride CAS: 401-80-9 C7H4F4 with fast delivery

CAS No.: 401-80-9

Content: 99.5%

Inquiry
NANTONG REFORM PETRO-CHEMICAL CO.,LTD Contact Supplier

CN
4 YRS

Business licensed Certified factory

Manufactory Supplier of Flavors & Fragrances,Catalyst & Auxiliary,Intermediates,Dyes & Pigments,Inorganic Chemistry,petro chemicals,Surfactant,Food Additives,Water Treatment Chemicals

3-Fluorobenzotrifluoride 401-80-9

CAS No.: 401-80-9

Grade: Industrial Grade

Content: 99%

Inquiry