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2-Bromo-3-fluoroaniline

2-Bromo-3-fluoroaniline structure

2-Bromo-3-fluoroaniline 

structure
  • CAS No:

    111721-75-6

  • Formula:

    C6H5BrFN

  • Chemical Name:

    2-Bromo-3-fluoroaniline

  • Synonyms:

    Benzenamine,2-bromo-3-fluoro-;2-Bromo-3-fluorobenzenamine;2-Bromo-3-fluoroaniline

  • Categories:

    Organic Chemistry  >  Organic Fluorine Compound

Description

Light yellow liquid

2-Bromo-3-fluoroaniline Basic Attributes

190.01

190.01

DTXSID10563838

29214200

Characteristics

26

2

Off-white Crystalline

1.67

32-34 °C

229.8±20.0 °C(Predicted)

94°(201°F)

1.583

Slightly soluble in water.

0.068mmHg at 25°C

Safety Information

6.1

2811

22-36-36/37/38-20/21/22

9-26-36/37-60

Xi,Xn

Harmful/Irritant

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

|Danger|H315 (18.18%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 22 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Bromo-3-fluoroaniline Use and Manufacturing

22.0 g of 1-fluoro-2-bromo-3-nitrobenzene was added to a 500 mL stainless steel autoclave.220.0 g of methanol and 2.2 g of Raney nickel catalyst. Stir vigorously for 5 hours at room temperature and 1 MPa hydrogen pressure.The catalyst was filtered off, and the mother liquid was concentrated to give a solvent to give 1-fluoro-2-bromo-3-aminobenzene (18.6 g, yield 98percent).To a solution of 2-bromo-1-fluoro-3-nitrobenzene (1.0 g, 5.0 mmol) in CH2-Bromo-3-fluoroanilineTo a solution of 2-bromo-1-fluoro-3-nitrobenzene (1.0 g, 5.0 mmol) in CH

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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