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4-Amino-3-fluorobenzonitrile

4-Amino-3-fluorobenzonitrile structure

CAS No:
63069-50-1
Formula:
C7H5FN2
Chemical Name:
4-Amino-3-fluorobenzonitrile
Synonyms:
Benzonitrile,4-amino-3-fluoro-;4-Amino-3-fluorobenzonitrile;4-Cyano-2-fluoroaniline;4-Amino-3-fluorobenzenecarbonitrile;2-Fluoro-4-cyanoaniline;3-Fluoro-4-aminobenzonitrile
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

Off-white to brown crystalline

4-Amino-3-fluorobenzonitrile Basic Attributes

Molecular Weight：

136.13

Exact Mass：

136.13

DSSTox ID：

DTXSID80373365

HScode：

2926909090

Characteristics

PSA：

49.8

XLogP3：

1.2

Density：

1.3±0.1 g/cm3

Melting Point：

70-74

Boiling Point：

264.2°C at 760 mmHg

Flash Point：

113.6±23.2 °C

Refractive Index：

1.560

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN3439

hazard class code：

20/21/22-36/38

safety instructions：

26-36/37

Marks：

Xi,T

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (30%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 10 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Amino-3-fluorobenzonitrile Use and Manufacturing

Step 1: Example 20: 2-[4-(fe/t-butyl)-phenoxy]-/V-(3-cyano-5-fluoro-4- methanesulfonylamino)benzylacetamideStep 1 : 4-Amino~3-fluorobenzenecarbonitrile; 2-Fluoro-2-iodoaniiine (2.Og, 8.4mmol) and coppercyanide (982mg, 11.0mmol, 1.5eq) were added into DMF (30ml). And the reaction mixture was heated to 130°C, stirred for 8hrs. The reaction mixture was diluted with ethyl acetate. A diluted solution was washed with HTo a solution of 3-fluoro-4-nitrobenzonitrile (5.0 g, 0.030 mmol) in MeOH (50 mL) were added iron powder (5 g) and conc.HC1 (20 mL). The reaction mass was stirred at RT for 2 h. The reaction mass was filtered. The filtrate was concentrated and then diluted with water, extracted with EtOAc and basified with 10percent NaHCO3 solution. The organic portion wasdried over Na2504 and concentrated to afford 4.5 g of the title product.’H NMR (300 MHz, DMSO-d6): 7.52-7.48 (d, J= 11.7 Hz, 1H), 7.31-7.29 (d, J= 8.1 Hz, 1H), 6.82.-6.76 (d, J=8.7 Hz, 1H), 6.24 (s, 2H).

Computed Properties

Molecular Weight:136.13
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:136.04367633
Monoisotopic Mass:136.04367633
Topological Polar Surface Area:49.8
Heavy Atom Count:10
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 4-Amino-3-fluorobenzonitrile

Hangzhou Royalchem Co.,LTD Contact Supplier

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2 YRS

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3-Fluoro-4-aminobenzonitrile RC02175

Unit Price: $1 /KG EXW

CAS No.: 63069-50-1

Grade: Industrial Grade

Content: 99%

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SHANDONG LOOK CHEMICAL CO.,LTD Contact Supplier

CN
5 YRS

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Manufactory Supplier of Agrochemicals,Daily Chemicals,Catalysts & Chemical Auxiliary Agents,Extract,Inorganic Chemicals,Organic Intermediate,Pigment & Dyestuff,Polymer,Flavour & Fragrance,Basic Organic Chemicals,Pharmaceutical

3-Fluoro-4-aminobenzonitrile

CAS No.: 63069-50-1

Grade: Pharmaceutical Grade

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Latest News on 4-Amino-3-fluorobenzonitrile

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Guide of 4-Amino-3-fluorobenzonitrile

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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4-Amino-3-fluorobenzonitrile

SDS

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