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2,4-Difluoro-1-methylbenzene

2,4-Difluoro-1-methylbenzene structure

CAS No:
452-76-6
Formula:
C7H6F2
Chemical Name:
2,4-Difluoro-1-methylbenzene
Synonyms:
Benzene,2,4-difluoro-1-methyl-;Toluene,2,4-difluoro-;2,4-Difluoro-1-methylbenzene;2,4-Difluorotoluene;2,4-Difluorobenzyl;NSC 3465
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

colorless to light yellow liqui

2,4-Difluoro-1-methylbenzene Basic Attributes

Molecular Weight：

128.12

Exact Mass：

128.12

BRN：

1931681

EC Number：

207-211-9

UNII：

RMK2YU8CT4

NSC Number：

3465

DSSTox ID：

DTXSID70196429

HScode：

2903999090

Characteristics

PSA：

XLogP3：

2.5

Appearance：

Clear colorless Liquid

Density：

1.1±0.1 g/cm3

Melting Point：

-35 °C

Boiling Point：

117 °C @ Press: 775 Torr

Flash Point：

59 °F

Refractive Index：

1.457

Storage Conditions：

Flammables area

Safety Information

Packing level：

Ⅱ

Hazard category：

Transport codes：

UN 1993 3/PG 2

wgk germany：

hazard class code：

safety instructions：

16-29-33

Marks：

F,F+

Hazard note：

Flammable

Precautionary statement(s)：

P210

Hazard Statements：

H225

Drug Information

MeSH Entry Terms：

2,4-difluorotoluene

2,4-Difluoro-1-methylbenzene Use and Manufacturing

Methods of Manufacturing

General procedure: A glass reactor equipped with a Teflon-lined magnetic stir bar and connected to a gas-washing bottle was charged with C6H5R (0.95–1.14 mmol), MeCN (1–2.5 mL per mmol of C6H5R), and BF3 · Et2O (1.3–1.6 mmol per mmol of C6H5R). The solution was stirred for 10–15 min at –25°C, and XeF2 (1.2–1.3 mmol per mmol of C6H5R) was added in portions. The mixture was allowed to warm up to 22°C over a period of 1 h and stirred for 40–60 min more, hexafluorobenzene (internal standard) was added, and a sample was withdrawn for 19F NMR analysis (procedure B). The mixture was treated with a saturated aqueous solution of NaHCO3 and extracted with methylene chloride (1–2 mL). The extract was dried over MgSO4 and analyzed by 19F and GC/MS (procedure C). The main products are given in table, and the others are listed below (GC/MS data).

Uses

Intermediate for medicine, pesticide, liquid crystal material.

Computed Properties

Molecular Weight:128.12
XLogP3:2.5
Hydrogen Bond Acceptor Count:2
Exact Mass:128.04375652
Monoisotopic Mass:128.04375652
Heavy Atom Count:9
Complexity:92.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2,4-Difluorotoluene

CAS No.: 452-76-6

Content: 99.00%

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Guide of 2,4-Difluoro-1-methylbenzene

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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2,4-Difluoro-1-methylbenzene

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