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4-Bromo-3-fluoroaniline

4-Bromo-3-fluoroaniline structure

CAS No:
656-65-5
Formula:
C6H5BrFN
Chemical Name:
4-Bromo-3-fluoroaniline
Synonyms:
4-Bromo-3-fluoroanil;4-BROMO-3-FLUOROANILINE;4-Bromo-3-fluoroaniline98%;4-Bromo-3-fluorobenzenamine;4-BROMO-3-FLUOROPHENYLAMINE;4-BroMo-3-fluoroaniline, 97+%;4 - broMine - 3 - fluoro aniline;4-BroMo-3-fluoroaniline, 98% 5GR
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

Beige to brown needles and crystalline powder

4-Bromo-3-fluoroaniline Basic Attributes

Molecular Weight：

190.01

Exact Mass：

188.958939

BRN：

3236457

EC Number：

-0

DSSTox ID：

DTXSID00356332

HScode：

2921420090

Characteristics

PSA：

XLogP3：

Appearance：

Yellow to tan Crystalline Powder

Density：

1.7±0.1 g/cm3

Melting Point：

72-73°C

Boiling Point：

65-68 °C(lit.)

Flash Point：

105 °F

Refractive Index：

1.597

Water Solubility：

soluble in acetonitrile, methanol. Insoluble in water.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN2811

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Xi,T,Xn

Hazard note：

Toxic

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (10.87%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Bromo-3-fluoroaniline Use and Manufacturing

Methods of Manufacturing

To a stirred solution of N-(4-bromo-3-fluorophenyl)acetamide (12.9 g, 12.9 mmol) dissolved in ethanol (30 mL), conc. HCI (15 mL) was added and refluxed at 80 °C for4 h. The reaction mixture diluted ice water and extracted with ethyl acetate, the combined organic layer was washed with water and brine solution. The solvent was removed under vacuo to yield the title compound (2.45 g, 100.0percent) as an off white solid.

Uses

4-Bromo-3-fluoroaniline is a intermediate used for the synthetic preparation of Tradizolid and various pharmaceuticals such as the synthesis of several lateral difluoro-substituted 4,4"-dialkyl- and 4,4"-alkoxyalkylterphenyls.

Computed Properties

Molecular Weight:190.01
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:188.95894
Monoisotopic Mass:188.95894
Topological Polar Surface Area:26
Heavy Atom Count:9
Complexity:99.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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