CAS No.28166-06-5,4-Fluoro-3-nitrophenyl azide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	28166-06-5
Name:	4-Fluoro-3-nitrophenyl azide
Article Data:	9

Formula:	C₆H₃FN₄O₂
Molecular Weight:	182.114
Synonyms:	1-Fluoro-2-nitro-4-azidobenzene;2-Nitro-4-azidofluorobenzene;4-Azido-1-fluoro-2-nitrobenzene;4-Azido-2-nitrofluorobenzene;4-Azido-2-nitrophenyl fluoride;NSC 266503;
EINECS:	248-878-6
Melting Point:	54-56 ºC
Flash Point:	113 °C
Hazard Symbols:	T,F,Xi
Risk Codes:	5-11-23/24/25
Safety:	36/37/39-45
PSA:	95.57000
LogP:	2.65166

Synthetic route

: 364-76-1
4-Fluoro-3-nitroaniline

: 28166-06-5
4-fluoro-3-nitrophenylazide

Conditions

Conditions	Yield
Stage #1: 4-Fluoro-3-nitroaniline With hydrogenchloride; sodium nitrite In water at 70℃; Stage #2: With sodium azide In water at 70℃;	98%
With sodium azide; tert.-butylnitrite In tert-butyl alcohol at 20℃; for 1h;	92%
Stage #1: 4-Fluoro-3-nitroaniline With hydrogenchloride; sodium nitrite In water at 0℃; for 0.25h; Stage #2: With sodium azide In water at 20℃; for 0.5h;	75%
Stage #1: 4-Fluoro-3-nitroaniline With hydrogenchloride; sodium nitrite In water at 5℃; for 0.5h; Cooling with ice; Stage #2: With sodium azide In water at 0℃;	73%
(i) aq. H2SO4, NaNO2, (ii) aq. NaN3; Multistep reaction;

: sodium azide

: 364-76-1
4-Fluoro-3-nitroaniline

: 28166-06-5
4-fluoro-3-nitrophenylazide

Conditions

Conditions	Yield
Stage #1: 4-Fluoro-3-nitroaniline With hydrogenchloride; sodium nitrite In water at 0℃; for 0.166667h; Stage #2: sodium azide In water at 0℃; for 4.25h;

: 28166-06-5
4-fluoro-3-nitrophenylazide

: 1309943-98-3
(1R,2R,3S,4R,5S)-4-(2-chloro-6-(prop-2-ynylamino)-9H-purin-9-yl)bicyclo[3.1.0]hexane-2,3-diol

: 1309943-99-4
(1R,2R,3S,4R,5S)-4-(2-chloro-6-((1-(4-fluoro-3-nitrophenyl)-1H-1,2,3-triazol-4-yl)methylamino)-9H-purin-9-yl)bicyclo[3.1.0]hexane-2,3-diol

Conditions

Conditions	Yield
With copper(II) sulfate; sodium L-ascorbate; tris[(1-benzyl-1H-1,2,3-triazol-4yl)methyl]amine In water; tert-butyl alcohol at 20℃;	96%
With sodium ascorbate; copper(II) sulfate; tris[(1-benzyl-1H-1,2,3-triazol-4yl)methyl]amine In dichloromethane; water; tert-butyl alcohol at 20℃; Inert atmosphere;	96%

: 28166-06-5
4-fluoro-3-nitrophenylazide

: 1309943-74-5
(1S,2R,3S,4R,5S)-4-[2-chloro-6-(3-(nona-1,8-diynyl)phenylmethylamino)-9H-purin-9-yl]-2,3-dihydroxybicyclo[3.1.0]hexane-1-carboxylic acid N-methylamide

: 1309943-77-8
(1S,2R,3S,4R,5S)-4-[2-chloro-6-(3-(7-(1-(4-fluoro-3-nitrophenyl)-1H-1,2,3-triazol-4-yl)hept-1-ynyl)benzylamino)-9H-purin-9-yl]-2,3-dihydroxybicyclo[3.1.0]hexane-1-carboxylic acid N-methylamide

Conditions

Conditions	Yield
With sodium ascorbate; copper(II) sulfate; tris[(1-benzyl-1H-1,2,3-triazol-4yl)methyl]amine In dichloromethane; water; tert-butyl alcohol at 20℃; Inert atmosphere;	96%

: 98-91-9
thiobenzoic acid

: 28166-06-5
4-fluoro-3-nitrophenylazide

: 228425-41-0
N-(4-fluoro-3-nitrophenyl)-benzylamide

Conditions

Conditions	Yield
With 2,6-dimethylpyridine In methanol at 25℃; for 15h;	95%

: 28166-06-5
4-fluoro-3-nitrophenylazide

: 1309943-87-0
(1R,2R,3S,4R,5S)-4-(2-chloro-6-(3-(octa-1,7-diynyl)benzylamino)-9H-purin-9-yl)bicyclo[3.1.0]hexane-2,3-diol

: 1309943-90-5
(1R,2R,3S,4R,5S)-4-(2-chloro-6-(3-(6-(1-(4-fluoro-3-nitrophenyl)-1H-1,2,3-triazol-4-yl)hex-1-ynyl)benzylamino)-9H-purin-9-yl)bicyclo[3.1.0]hexane-2,3-diol

Conditions

Conditions	Yield
With sodium ascorbate; copper(II) sulfate; tris[(1-benzyl-1H-1,2,3-triazol-4yl)methyl]amine In dichloromethane; water; tert-butyl alcohol at 20℃; Inert atmosphere;	95%

: 28166-06-5
4-fluoro-3-nitrophenylazide

: 507-09-5
thioacetic acid

: 351-32-6
N-(4-fluoro-3-nitrophenyl)acetamide

Conditions

Conditions	Yield
With 2,6-dimethylpyridine In methanol at 25℃; for 15h;	94%

: 28166-06-5
4-fluoro-3-nitrophenylazide

: 1213770-15-0
(1'S,2'R,3'S,4'R,5'S)-4'-[6-(3-chlorobenzylamino)-2-(1,7-octadiynyl)-9H-purin-9-yl]-2',3'-dihydroxybicyclo[3.1.0]hexane-1'-carboxylic acid N-methylamide

: 1217299-58-5
MRS5223

Conditions

Conditions	Yield
With copper(II) sulphate hydrate; sodium L-ascorbate In tetrahydrofuran; water at 20℃; regioselective reaction;	94%
With copper(ll) sulfate pentahydrate; sodium L-ascorbate In tetrahydrofuran; water at 20℃;	94%

: 28166-06-5
4-fluoro-3-nitrophenylazide

: 1309944-05-5
(1S,2R,3S,4R,5S)-4-[2-chloro-6-(3-(octa-1,7-diynyl)phenylmethylamino)-9H-purin-9-yl]-2,3-dihydroxybicyclo[3.1.0]hexane-1-carboxylic acid N-methylamide

: 1309943-76-7
(1S,2R,3S,4R,5S)-4-[2-chloro-6-(3-(6-(1-(4-fluoro-3-nitrophenyl)-1H-1,2,3-triazol-4-yl)hex-1-ynyl)benzylamino)-9H-purin-9-yl]-2,3-dihydroxybicyclo[3.1.0]hexane-1-carboxylic acid N-methylamide

Conditions

Conditions	Yield
With sodium ascorbate; copper(II) sulfate; tris[(1-benzyl-1H-1,2,3-triazol-4yl)methyl]amine In dichloromethane; water; tert-butyl alcohol at 20℃; Inert atmosphere;	94%

: 28166-06-5
4-fluoro-3-nitrophenylazide

: 1309943-94-9
(1S,2R,3S,4R,5S)-4-(2-chloro-6-(prop-2-ynylamino)-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide

: 1309943-95-0
(1S,2R,3S,4R,5S)-4-(2-chloro-6-((1-(4-fluoro-3-nitrophenyl)-1H-1,2,3-triazol-4-yl)methylamino)-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide

Conditions

Conditions	Yield
With copper(II) sulfate; sodium L-ascorbate; tris[(1-benzyl-1H-1,2,3-triazol-4yl)methyl]amine In water; tert-butyl alcohol at 20℃;	92%
With sodium ascorbate; copper(II) sulfate; tris[(1-benzyl-1H-1,2,3-triazol-4yl)methyl]amine In dichloromethane; water; tert-butyl alcohol at 20℃; Inert atmosphere;	92%

Raw Materials

364-76-1

Downstream Products

351-32-6

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Specification

The Benzene,4-azido-1-fluoro-2-nitro-, with the CAS registry number 2817-13-2, is also known as 2-Nitro-4-azidofluorobenzene. Its EINECS number is 248-878-6. This chemical's molecular formula is C₆H₃FN₄O₂ and formula weight is 182.11. What's more, its IUPAC name is 4-azido-1-fluoro-2-nitrobenzene. Its classification code is Mutation data. Its storage temperature is 2-8°C.It is used as an affinity label for insulin to give mono-azide-nitrophenyl-insulin derivatives. It is highly flammable. Once heated, it may cause an explosion. It is toxic by inhalation, in contact with skin and if swallowed. When using it, you should wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

Physical properties about 4-Fluoro-3-nitrophenyl azide are:
(1)ACD/LogP:2.441; (2) # of Rule of 5 Violations:0; (3)ACD/LogD (pH 5.5):2.44; (4)ACD/LogD (pH 7.4):2.44; (5)ACD/BCF (pH 5.5):42.18; (6)ACD/BCF (pH 7.4):42.18; (7)ACD/KOC (pH 5.5): 506.86; (8)ACD/KOC (pH 7.4): 506.86; (9)#H bond acceptors: 6; (10)#H bond donors:0; (11)#Freely Rotating Bonds:2.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1N=[N+]=[N-])[N+](=O)[O-])F
(2)InChI: InChI=1S/C6H3FN4O2/c7-5-2-1-4(9-10-8)3-6(5)11(12)13/h1-3H
(3)InChIKey: VCTBSHQJICJJFV-UHFFFAOYSA-N