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2-Fluorobenzotrifluoride

2-Fluorobenzotrifluoride structure

CAS No:
392-85-8
Formula:
C7H4F4
Chemical Name:
2-Fluorobenzotrifluoride
Synonyms:
Benzene,1-fluoro-2-(trifluoromethyl)-;Toluene,o,α,α,α-tetrafluoro-;1-Fluoro-2-(trifluoromethyl)benzene;o-Fluorobenzotrifluoride;2-Fluorobenzotrifluoride;o,α,α,α-Tetrafluorotoluene;2-Trifluoromethylfluorobenzene;o-Fluoro(trifluoromethyl)benzene;NSC 10314;2-Fluoro-1-trifluoromethylbenzene
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

clear colorless liquid

2-Fluorobenzotrifluoride Basic Attributes

Molecular Weight：

164.1

Exact Mass：

164.10

BRN：

2046638

EC Number：

206-880-4

NSC Number：

10314

DSSTox ID：

DTXSID6059940

HScode：

29039990

Characteristics

PSA：

XLogP3：

Appearance：

Clear, colorless liquid.

Density：

1.3±0.1 g/cm3

Melting Point：

-49°C

Boiling Point：

114.5 °C

Flash Point：

64 °F

Refractive Index：

1.406

Storage Conditions：

Flammables area

Vapor Pressure：

38.44 mmHg

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：

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

Marks：

F,Xi

Hazard note：

Flammable/Irritant

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P210-P261-P305 + P351 + P338

Hazard Statements：

H225-H315-H319-H335

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Fluorobenzotrifluoride Use and Manufacturing

Methods of Manufacturing

General 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

Used as dye, pesticide, pharmaceutical intermediate

Manufacturing Info：

Benzene, 1-fluoro-2-(trifluoromethyl)-: INACTIVE

Computed Properties

Molecular Weight:164.10
XLogP3:3
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

Sodium nitrite

o-Toluidine

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2-Fluorobenzotrifluoride

CAS No.: 392-85-8

Grade: industrial Grade

Content: 98%

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2-Fluorobenzotrifluoride 392-85-8

CAS No.: 392-85-8

Grade: Industrial Grade

Content: 99%

Inquiry