3-Fluoro-4-nitro benzaldehyde supplier

Name
3-FLUORO-4-NITRO-BENZALDEHYDE
EINECS
CAS No. 160538-51-2
Article Data9
CAS DataBase
Density 1.443 g/cm³
Solubility
Melting Point 57-58 °C
Formula C₇H₄FNO₃
Boiling Point 312 °C at 760mmHg
Molecular Weight 169.112
Flash Point 142.5 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Fluoro-4-nitrobenzaldehyde;
PSA 62.89000
LogP 2.06960

Synthetic route

: 863604-64-2
N-[methyl]-N-[methoxy]3-fluoro-4-nitrobenzamide

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

Conditions

Conditions	Yield
Stage #1: N-[methyl]-N-[methoxy]3-fluoro-4-nitrobenzamide With diisobutylaluminium hydride In tetrahydrofuran at 0℃; for 0.5h; Stage #2: With hydrogenchloride; water In tetrahydrofuran	88%

: Br(1-)*C13H17FN5O2(1+)

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

Conditions

Conditions	Yield
With trifluoroacetic acid at 70 - 75℃; for 20h;	86%

: 503315-74-0
(3-fluoro-4-nitrophenyl)methanol

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

Conditions

Conditions	Yield
With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In ethyl acetate at 70℃; for 2h; Solvent; Temperature; Reagent/catalyst;	82%
With manganese(IV) oxide In dichloromethane at 20℃;	66%

: 446-34-4
2-fluoro-4-methyl-1-nitrobenzene

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

Conditions

Conditions	Yield
Stage #1: 2-fluoro-4-methyl-1-nitrobenzene With chromium(VI) oxide; sulfuric acid; acetic anhydride Stage #2: With sulfuric acid; water In ethanol Further stages.;	50%
Stage #1: 2-fluoro-4-methyl-1-nitrobenzene With chromium(VI) oxide; sulfuric acid; acetic acid at 5 - 10℃; for 3h; Stage #2: With water; sodium hydrogencarbonate for 0.25h; Stage #3: With hydrogenchloride; ethanol; water for 0.25h; Heating / reflux;	29.2%
With chromium(VI) oxide; sulfuric acid 1.) acetic anhydride, 0 degC, 3 h; 2.) ethanol, water, 1 h; Yield given. Multistep reaction;

: 211388-77-1
Acetic acid acetoxy-(3-fluoro-4-nitro-phenyl)-methyl ester

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

Conditions

Conditions	Yield
With hydrogenchloride; acetic acid In water at 115℃; for 0.75h;

: 403-21-4
3-fluoro-4-nitrobenzoic acid

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 4-methyl-morpholine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 17 h / 20 °C 2: diisobutylaluminium hydride / tetrahydrofuran / 0.5 h / 0 °C View Scheme
Multi-step reaction with 3 steps 1: sulfuric acid / 8 h / 80 °C 2: sodium tetrahydroborate / methanol; tetrahydrofuran / 60 °C / Cooling with ice 3: 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione / ethyl acetate / 2 h / 70 °C View Scheme

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

: 74-89-5
methylamine

: 1289136-16-8
C8H8N2O3

Conditions

Conditions	Yield
In acetonitrile at 120℃; for 1.58333h; Cooling with ice;	100%
In tetrahydrofuran at 20℃; for 2 - 3h;

: 6702-50-7
3-hydroxy-4-methoxybenzoate

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

: methyl 3-(5-formyl-2-nitrophenoxy)-4-methoxybenzoate

Conditions

Conditions	Yield
Stage #1: 3-hydroxy-4-methoxybenzoate With sodium hydride In N,N-dimethyl-formamide at 20℃; for 1h; Stage #2: 3-fluoro-4-nitro-benzaldehyde In N,N-dimethyl-formamide at 20℃; for 1h;	95%

: 141-82-2
malonic acid

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

: 73781-66-5
4-nitro-3-fluorocinnamic acid

Conditions

Conditions	Yield
pyridine In ethanol for 6h; Heating / reflux;	90%

: 1224718-12-0
4-(2-(4-bromobenzylthio)acetyl)benzoic acid

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

: 1224721-89-4
(E)-4-(2-(4-bromobenzylthio)-3-(3-fluoro-4-nitrophenyl)acryloyl)benzoic acid

Conditions

Conditions	Yield
With ammonium acetate; acetic acid Knoevenagel condensation; Reflux;	90%

: 22990-34-7
2-(piperidin-4-yl)propan-2-ol

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

: 1357923-87-5
2-(1-(3-fluoro-4-nitrobenzyl)piperidin-4-yl)propan-2-ol

Conditions

Conditions	Yield
With sodium tris(acetoxy)borohydride; acetic acid In dichloromethane at 5℃; for 0.75h;	88%
With sodium tris(acetoxy)borohydride In dichloromethane; acetic acid at 20℃; for 1h;	86%

: 2566-44-1
1-cyclopropylethanol

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

: 4-[(1E)-3-cyclopropylprop-1-en-1-yl]-2-fluoro-1-nitrobenzene

Conditions

Conditions	Yield
Stage #1: 1-cyclopropylethanol With 1H-imidazole; iodine; triphenylphosphine In chloroform at 0 - 20℃; Inert atmosphere; Stage #2: With triphenylphosphine In chloroform; acetonitrile for 15h; Inert atmosphere; Reflux; Stage #3: 3-fluoro-4-nitro-benzaldehyde With potassium hexamethylsilazane In tetrahydrofuran; chloroform; acetonitrile at 0 - 20℃; for 1h; Inert atmosphere;	88%

: 35000-37-4
(tert-butyloxycarbonylmethyl)triphenylphosphonium chloride

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

: 1218938-27-2
(E)-3-(3-fluoro-4-nitro-phenyl)-acrylic acid tert-butyl ester

Conditions

Conditions	Yield
Stage #1: (tert-butyloxycarbonylmethyl)triphenylphosphonium chloride With potassium tert-butylate In tetrahydrofuran for 0.25h; Stage #2: 3-fluoro-4-nitro-benzaldehyde In tetrahydrofuran for 1.5h;	86%

: 59159-39-6
(tert-butoxycarbonylmethyl)triphenylphosphonium bromide

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

: 1218938-27-2
(E)-3-(3-fluoro-4-nitro-phenyl)-acrylic acid tert-butyl ester

Conditions

Conditions	Yield
Stage #1: (tert-butoxycarbonylmethyl)triphenylphosphonium bromide With potassium tert-butylate In tetrahydrofuran at 20℃; for 0.25h; Stage #2: 3-fluoro-4-nitro-benzaldehyde In tetrahydrofuran at 20℃; for 1.5h;	86%

: 109-01-3
1-methyl-piperazine

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

: 1094554-37-6
1-(3-fluoro-4-nitrobenzyl)-4-methylpiperazine

Conditions

Conditions	Yield
Stage #1: 1-methyl-piperazine; 3-fluoro-4-nitro-benzaldehyde With acetic acid In toluene at 20℃; for 1.5h; Stage #2: With sodium tris(acetoxy)borohydride In toluene for 2h; Stage #3: With sodium hydrogencarbonate In methanol; water; toluene for 0.5h;	82%

: 1067-74-9
Methyl diethylphosphonoacetate

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

: 211388-93-1
(E)-3-(3-Fluoro-4-nitro-phenyl)-acrylic acid methyl ester

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran Horner-Emmons olefination;	80%

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

: 1210757-48-4
3-fluoro-4-nitrobenzaldehyde oxime

Conditions

Conditions	Yield
With hydroxylamine hydrochloride In ethanol at 60 - 65℃; for 2h;	77.4%
With pyridine; hydroxylamine hydrochloride In ethanol Reflux;

: 2295-31-0
2,4-thiazolidinedion

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

: 5-(3-fluoro-4-nitro-benzylidene)-thiazolidine-2,4-dione

Conditions

Conditions	Yield
With acetic acid; 3-amino propanoic acid at 100℃;	77%

: 2971-79-1
isonipecotic acid methyl ester

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

: 1025772-22-8
methyl 1-(5-formyl-2-nitrophenyl)piperidine-4-carboxylate

Conditions

Conditions	Yield
With caesium carbonate In dimethyl sulfoxide at 20 - 70℃; for 2.5h;	68%

: 257632-89-6
methyl 2-(3,4-diaminophenyl)acetate

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

: methyl 2-(2-(3-fluoro-4-nitrophenyl)-1H-benzo[d]imidazol-5-yl)acetate

Conditions

Conditions	Yield
With ammonium cerium (IV) nitrate; dihydrogen peroxide In water; acetonitrile at 50℃; for 0.833333h; Inert atmosphere;	65%

: 496-15-1
1-indoline

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

: 1-(3-fluoro-4-nitrobenzyl)indoline

Conditions

Conditions	Yield
Stage #1: 1-indoline; 3-fluoro-4-nitro-benzaldehyde In 1,2-dichloro-ethane at 0℃; for 0.5h; Stage #2: With sodium tris(acetoxy)borohydride In 1,2-dichloro-ethane at 0℃; for 5h;	62%

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

: 160538-52-3
3-Fluoro-4-nitro-benzylamine

Conditions

Conditions	Yield
With ammonium acetate; molecular sieve; sodium cyanoborohydride In methanol for 24h;	61%

: 106-49-0
p-toluidine

: 68-11-1
mercaptoacetic acid

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

: 2-(3-fluoro-4-nitrophenyl)-3-(p-tolyl)thiazolidin-4-one

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In tetrahydrofuran at 0 - 20℃; for 12h;	56%

...Expand

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

: C7H4N6O

Conditions

Conditions	Yield
With sodium azide In N,N-dimethyl-formamide at 35℃; for 22h;	29%

: 101-02-0
triphenyl phosphite

: 5‑(6‑bromopyridin‑2‑yl)‑1,3,4‑oxadiazol‑2‑amine

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

: diphenyl [[5‑(6‑bromopyridin‑2‑yl)‑1,3,4‑oxadiazol‑2‑yl]-amino](3‑fluoro‑4‑nitrophenyl)methylphosphonate

Conditions

Conditions	Yield
With acetic acid at 80℃; for 4h;	27%

...Expand

: 18818-39-8
2-(2-methylphenyl)-quinazolin-4(3H)-one

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

: 2-(2-((3-fluoro-4-nitrophenyl)(hydroxy)methyl)-6-methylphenyl)quinazolin-4(3H)-one

Conditions

Conditions	Yield
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; zinc diacetate In 1,2-dichloro-ethane at 80℃; for 20h; Sealed tube;	25%

: 107-19-7
propargyl alcohol

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

: 4-Nitro-3-prop-2-ynyloxy-benzoic acid prop-2-ynyl ester

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 0 - 20℃; for 16h;	22%

: 18818-39-8
2-(2-methylphenyl)-quinazolin-4(3H)-one

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

: 12-(3-fluoro-4-nitrophenyl)-12-hydroxy-4-methylisoindolo[1,2-b]quinazolin-10(12H)-one

Conditions

Conditions	Yield
With silver hexafluoroantimonate; [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; copper diacetate In 1,2-dichloro-ethane at 150℃; for 20h; Sealed tube;	12%

: 109-97-7
pyrrole

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

: 5,10,15-tris(3'-fluoro-4'-nitrophenyl)corrole

Conditions

Conditions	Yield
With acetic acid for 3.5h; Darkness; Reflux;	6.7%

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

: 619-05-6
3,4-diaminobenzoic acid

: 1026808-32-1
2-(3-fluoro-4-nitro-phenyl)-1H-benzoimidazole-5-carboxylic acid

Conditions

Conditions	Yield
In nitrobenzene at 155 - 160℃; for 18h;

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

: 1026452-39-0
2-(4-amino-3-fluoro-phenyl)-1H-benzoimidazole-5-carboxylic acid pyridin-2-ylamide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: nitrobenzene / 18 h / 155 - 160 °C 2.1: 1,1'-carbonyldiimidazole / dimethylformamide / 3 h / 80 °C 2.2: dimethylformamide / 18 h / Heating 3.1: H2 / Pd/C / ethanol; dimethylformamide / 6 h / 70 - 90 °C View Scheme

: 160538-51-2
3-fluoro-4-nitro-benzaldehyde

: 1027233-91-5
2-(3-fluoro-4-nitro-phenyl)-1H-benzoimidazole-5-carboxylic acid pyridin-2-ylamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: nitrobenzene / 18 h / 155 - 160 °C 2.1: 1,1'-carbonyldiimidazole / dimethylformamide / 3 h / 80 °C 2.2: dimethylformamide / 18 h / Heating View Scheme

3-Fluoro-4-nitro benzaldehyde Specification

The CAS registry number of 3-Fluoro-4-nitro benzaldehyde is 160538-51-2. This chemical's molecular formula is C₇H₄FNO₃ and molecular weight is 169.1099632. What's more, its systematic name is called 3-Fluoro-4-nitrobenzaldehyde. In addition, this chemical is irritanting and may cause inflammation to the skin or other mucous membranes.

Physical properties about 3-Fluoro-4-nitro benzaldehyde are: (1)ACD/LogP: 1.50; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 62.89 Å²; (7)Index of Refraction: 1.59; (8)Molar Refractivity: 39.54 cm³; (9)Molar Volume: 117.1 cm³; (10)Polarizability: 15.67×10^-24 cm³; (11)Surface Tension: 52.2 dyne/cm; (12)Density: 1.443 g/cm³; (13)Flash Point: 142.5 °C; (14)Enthalpy of Vaporization: 55.3 kJ/mol; (15)Boiling Point: 312 °C at 760 mmHg; (16)Vapour Pressure: 0.000544 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1ccc(cc1F)C=O
(2) InChI: InChI=1/C7H4FNO3/c8-6-3-5(4-10)1-2-7(6)9(11)12/h1-4H
(3) InChIKey: BWUIGISQVCIQBT-UHFFFAOYAD

Product Name

3-FLUORO-4-NITRO-BENZALDEHYDE

Synthetic route

3-Fluoro-4-nitro benzaldehyde Specification

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