5-Nitrosalicylaldehyde supplier

Name
5-Nitrosalicylaldehyde
EINECS 202-587-0
CAS No. 97-51-8
Article Data88
CAS DataBase
Density 1.5 g/cm³
Solubility Soluble in water (partly).
Melting Point 125-128 °C(lit.)
Formula C₇H₅NO₄
Boiling Point 300.2 °C at 760 mmHg
Molecular Weight 167.121
Flash Point 137.3 °C
Transport Information
Appearance yellow to brown crystals or powder
Safety 26-36-37/39
Risk Codes 36/38-36/37/38-22
Molecular Structure
Hazard Symbols Xi,Xn
Synonyms Salicylaldehyde,5-nitro- (6CI,7CI,8CI);2-Formyl-4-nitrophenol;2-Hydroxy-5-nitrobenzaldehyde;5-Nitro-2-hydroxybenzaldehyde;6-Hydroxy-3-nitrobenzaldehyde;NSC 881;NSC 97387;
PSA 83.12000
LogP 1.63610

Synthetic route

: 90-02-8
salicylaldehyde

: 97-51-8
5-Nitrosalicylaldehyde

Conditions

Conditions	Yield
With nitric acid; acetic acid at 20℃; for 6h;	96%
With magnesium(II) nitrate hexahydrate; AMA at 20℃; for 0.666667h; Neat (no solvent); regioselective reaction;	90%
With Vilsmeier reagent; potassium nitrate In neat (no solvent) at 100℃; under 1500.15 Torr; Reagent/catalyst; Temperature; Microwave irradiation;	89%

: 1498-88-0
1,3',3'-trimethyl-6-nitrospiro(indoline-2,2'-[2H]benzopyran)

: 97-51-8
5-Nitrosalicylaldehyde

Conditions

Conditions	Yield
With ozone In methanol at -78℃; for 0.0833333h; Oxidation;	94%

: 100-02-7
4-nitro-phenol

: 100-97-0
hexamethylenetetramine

: 97-51-8
5-Nitrosalicylaldehyde

Conditions

Conditions	Yield
With phosphorus molybdenum vanadium heteropoly acid based ionic liquid at 85 - 95℃; for 3h;	92.6%
With toluene-4-sulfonic acid In ethanol at 78℃; for 2h;	89.4%
With trifluoroacetic acid at 70℃; for 6h; Temperature;	72.5%

: 39224-61-8
2-hydroxy-5-nitrobenzyl alcohol

: 97-51-8
5-Nitrosalicylaldehyde

Conditions

Conditions	Yield
With aluminium trichloride; 1-butyl-4-aza-1-azoniabicyclo[2.2.2]octane chlorochromate In acetonitrile for 1.5h; Heating;	92%
With 1-decyl-4-aza-1-azoniabicyclo[2.2.2]octane chlorochromate at 20℃; for 0.133333h;	92%
With air; (acryl-TEMPO)-co-(allylamine-treated chlorophyll b-Co(III) complex) immobilized on SiO2-covered Fe3O4 magnetic nanoparticles In water at 25℃; for 0.666667h;	90%

: 100-02-7
4-nitro-phenol

: 97-51-8
5-Nitrosalicylaldehyde

Conditions

Conditions	Yield
With hexamethylenetetramine; trifluoroacetic acid at 85℃; for 15h; Duff Aldehyde Synthesis;	92%

: 89-95-2
2-methyl-benzyl alcohol

: 97-51-8
5-Nitrosalicylaldehyde

Conditions

Conditions	Yield
With zirconyl nitrate In acetone at 50℃; for 2h;	91%
With calcium(II) nitrate In acetic acid for 0.0166667h; microwave irradiation;	82%
at 20 - 85℃; for 0.00333333h; microwave irradiation;	62%

: 1008105-70-1
2-(1-hydroxy-3-phenylprop-2-yn-1-yl)-4-nitrophenol

A: 886-66-8
1,4-diphenyl-1,3-butadiyne

B: 97-51-8
5-Nitrosalicylaldehyde

Conditions

Conditions	Yield
With copper(II) acetate monohydrate In N,N-dimethyl-formamide at 110℃; for 5h; Solvent; Temperature;	A 91% B n/a

: 2-hydroxy-5-nitrobenzaldehyde semicarbazone

: 97-51-8
5-Nitrosalicylaldehyde

Conditions

Conditions	Yield
With tetrachlorosilane; silica gel In hexane; water for 0.5h; Heating;	90%

: 24590-01-0
acetyloxy(2-acetyloxy-5-nitrophenyl)methyl acetate

A: 97-51-8
5-Nitrosalicylaldehyde

B: 177496-78-5
2-acetoxy-5-nitrobenzaldehyde

Conditions

Conditions	Yield
With bismuth(III) chloride In chloroform for 0.5h; deprotection; Heating;	A 5% B 80%

: 93044-40-7
2-hydroxy-5-nitrobenzaldehydephenylhydrazone

: 97-51-8
5-Nitrosalicylaldehyde

Conditions

Conditions	Yield
With 3-carboxypyridinium chlorochromate In acetonitrile for 1.5h; Heating;	77%

: 100-02-7
4-nitro-phenol

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: 97-51-8
5-Nitrosalicylaldehyde

Conditions

Conditions	Yield
Stage #1: N,N-dimethyl-formamide With trichlorophosphate In acetonitrile at -5℃; for 1h; Stage #2: 4-nitro-phenol With copper(II) nitrate In acetonitrile at 20℃; for 16h; Vilsmeier-Haack Formylation; Stage #3: With water In acetonitrile Kinetics; Mechanism; Catalytic behavior; Reagent/catalyst; Time; Solvent; Temperature; Vilsmeier-Haack Formylation; Heating;	65%

: 22068-55-9
2-(1,4-dioxa-5-cyclopentyl)-4-nitrophenol

: 6399-81-1
triphenylphosphine hydrobromide

A: 7237-34-5
2-(hydroxyethyl)triphenylphosphonium bromide

B: 97-51-8
5-Nitrosalicylaldehyde

Conditions

Conditions	Yield
In dichloromethane at 50℃; for 0.0833333h; Microwave irradiation; Sealed tube;	A n/a B 61%

...Expand

: 90-02-8
salicylaldehyde

A: 5274-70-4
3-nitrosalicylic aldehyde

B: 97-51-8
5-Nitrosalicylaldehyde

Conditions

Conditions	Yield
With nitric acid; acetic acid	A n/a B 47%
With nitric acid; acetic acid at 15℃; Man laesst dann die Temperatur des Gemisches auf 40-45gradC steigen und giesst schnell in Eiswasser. Man kann beiden Aldehyde in Form der Natriumsalze, Bariumsalze, oder durch NaHSO3 trennen.;
With water; nitric acid
With nitric acid; acetic acid at 15℃; Man laesst dann die Temperatur des Gemisches auf 40-45gradC steigen und giesst schnell in Eiswasser. Man kann die beiden Aldehyde in Form der Natriumsalze, Bariumsalze oder durch NaHSO3 trennen.;
With trifluoromethylsulfonic anhydride; ethylammonium nitrate at 0 - 20℃; for 0.5h; Inert atmosphere;	A 42 %Chromat. B 58 %Chromat.

: 50-00-0
formaldehyd

: 100-02-7
4-nitro-phenol

A: 880-03-5
1-(methoxymethoxy)-4-nitrobenzene

B: 97-51-8
5-Nitrosalicylaldehyde

Conditions

Conditions	Yield
With triethylamine; magnesium chloride In acetonitrile for 41h; Heating;	A 11% B 12%

...Expand

: 100-02-7
4-nitro-phenol

: 67-66-3
chloroform

: 97-51-8
5-Nitrosalicylaldehyde

Conditions

Conditions	Yield
With sodium hydroxide; ethanol anschliessendes Erwaermen;
With potassium hydroxide at 25℃; for 15h; Irradiation; or with pyridine;	3.00 % Chromat.
With tributyl-amine; sodium hydroxide In ethanol; water at 60℃; for 0.666667h; Reimer-Tiemann Phenol Formylation; Inert atmosphere;

: 2973-19-5
2-hydroxy-5-nitrobenzyl chloride

: 97-51-8
5-Nitrosalicylaldehyde

Conditions

Conditions	Yield
With chloroform; hexamethylenetetramine Beim Erhitzen des Reaktionsprodukts mit Essigsaeure;

: 37630-80-1
3,6-dinitro-coumarin

: furan-2,3,5(4H)-trione pyridine (1:1)

: 97-51-8
5-Nitrosalicylaldehyde

: 37630-80-1
3,6-dinitro-coumarin

: 97-51-8
5-Nitrosalicylaldehyde

Conditions

Conditions	Yield
With ammonia
With sodium hydroxide
With sodium sulfite

: 54362-25-3
2-acetoxy-1-diacetoxymethyl-4-nitro-benzene

: 97-51-8
5-Nitrosalicylaldehyde

Conditions

Conditions	Yield
With sulfuric acid

: 37630-80-1
3,6-dinitro-coumarin

: ammonium hydroxide

: 97-51-8
5-Nitrosalicylaldehyde

: 37630-80-1
3,6-dinitro-coumarin

Na2SO3-solution: Na2SO3-solution

: 97-51-8
5-Nitrosalicylaldehyde

: 7732-18-5
water

: 7697-37-2
nitric acid

: 90-02-8
salicylaldehyde

A: 5274-70-4
3-nitrosalicylic aldehyde

B: 97-51-8
5-Nitrosalicylaldehyde

...Expand

: 7697-37-2
nitric acid

: 90-02-8
salicylaldehyde

: 64-19-7
acetic acid

A: 5274-70-4
3-nitrosalicylic aldehyde

B: 97-51-8
5-Nitrosalicylaldehyde

Conditions

Conditions	Yield
unter guter Kuehlung;

...Expand

: 90-02-8
salicylaldehyde

A: 97-51-8
5-Nitrosalicylaldehyde

B 3-nitro-2-oxy-benzaldehyde: 3-nitro-2-oxy-benzaldehyde

Conditions

Conditions	Yield
With water; nitric acid

: 24590-01-0
acetyloxy(2-acetyloxy-5-nitrophenyl)methyl acetate

: 7732-18-5
water

: 97-51-8
5-Nitrosalicylaldehyde

: 67-63-0
isopropyl alcohol

: 3-(2-formyl-4-nitrophenoxymethyl)-5-methoxy-1,2-dimethylindole-4,7-dione

A: 97-51-8
5-Nitrosalicylaldehyde

B: 161518-24-7
3-(hydroxymethyl)-5-methoxy-1,2-dimethyl-1H-indole-4,7-dione

C: 3-(isopropoxy)methyl-5-methoxy-1,2-dimethylindole-4,7-dione

Conditions

Conditions	Yield
With dinitrogen monoxide In water Kinetics; γ-Irradiation;

...Expand

: 89-95-2
2-methyl-benzyl alcohol

A: 5274-70-4
3-nitrosalicylic aldehyde

B: 97-51-8
5-Nitrosalicylaldehyde

Conditions

Conditions	Yield
With perchloric acid; montmorillonite K10 supported ammonium nitrate at 35℃; for 2h; Title compound not separated from byproducts;

: 847869-79-8
methyl 2-(2-formyl-4-nitrophenoxy)butanoate

A: 97-51-8
5-Nitrosalicylaldehyde

B: 847869-81-2
2-(2-formyl-4-nitrophenoxy)butanoic acid

Conditions

Conditions	Yield
With sodium hydroxide at 90℃; for 0.5h;

: 847869-80-1
methyl 2-(2-formyl-4-nitrophenoxy)pentanoate

A: 97-51-8
5-Nitrosalicylaldehyde

B: 847869-82-3
2-(2-formyl-4-nitrophenoxy)pentanoic acid

Conditions

Conditions	Yield
With sodium hydroxide at 50℃; for 2h;

: 97-51-8
5-Nitrosalicylaldehyde

: 39224-61-8
2-hydroxy-5-nitrobenzyl alcohol

Conditions

Conditions	Yield
With hydrogenchloride; sodium tetrahydroborate In methanol; sodium hydroxide	100%
Stage #1: 5-Nitrosalicylaldehyde With sodium hydroxide; sodium tetrahydroborate In methanol; water at 0 - 20℃; for 24h; Stage #2: With hydrogenchloride; water In methanol at 0℃;	100%
With sodium tetrahydroborate In ethanol for 24h; Reduction;	99%

: 29022-11-5
N-(fluoren-9-ylmethoxycarbonyl)glycine

: 97-51-8
5-Nitrosalicylaldehyde

Val-Ala-Gly-Phe-Wang resin: Val-Ala-Gly-Phe-Wang resin

A: (S)-2-(2-{(S)-2-[(S)-2-(2-Hydroxy-5-nitro-benzylamino)-3-methyl-butyrylamino]-propionylamino}-acetylamino)-3-phenyl-propionic acid

B: (S)-2-[2-((S)-2-{(S)-2-[(2-Amino-acetyl)-(2-hydroxy-5-nitro-benzyl)-amino]-3-methyl-butyrylamino}-propionylamino)-acetylamino]-3-phenyl-propionic acid

Conditions

Conditions	Yield
Multistep reaction;	A n/a B 100%

...Expand

: 814-49-3
diethyl chlorophosphate

: 97-51-8
5-Nitrosalicylaldehyde

: 150196-45-5
phosphoric acid diethyl ester 2-formyl-4-nitro-phenyl ester

Conditions

Conditions	Yield
With triethylamine In dichloromethane	100%
In dichloromethane at 20℃; for 24h;	95%
With triethylamine In dichloromethane at 20℃; for 1h;	85%

: 24596-19-8
4-bromo-2,6-dimethylphenylamine

: 97-51-8
5-Nitrosalicylaldehyde

: 2-[(4-bromo-2,6-dimethylphenylimino)methyl]-4-nitrophenol

Conditions

Conditions	Yield
In ethanol at 80℃; for 2h;	100%
In ethanol at 80℃; for 2h;	87%

: 97-51-8
5-Nitrosalicylaldehyde

: 78-90-0, 10424-38-1
1,2-diaminopropan

: C17H16N4O6

Conditions

Conditions	Yield
In ethanol for 3h; Heating;	100%

: 19522-67-9
N-isopropylethane-1,2-diamine

: 97-51-8
5-Nitrosalicylaldehyde

: 1009629-45-1
2-[(2-isopropylaminoethylimino)methyl]-4-nitrophenol

Conditions

Conditions	Yield
In methanol	100%
In methanol at 20℃; for 0.166667h;	93%

: 97-51-8
5-Nitrosalicylaldehyde

: 87-62-7
2,6-dimethylaniline

: 339991-46-7
2-[(2,6-dimethylphenylimino)methyl]-4-nitrophenol

Conditions

Conditions	Yield
In ethanol at 80℃; for 2h; Inert atmosphere;	100%
In isopropyl alcohol at 80℃; for 24h; Inert atmosphere;

: 24596-19-8
4-bromo-2,6-dimethylphenylamine

: 97-51-8
5-Nitrosalicylaldehyde

: 2-[(4-bromo-2,6-dimethylphenylimino)methyl]-4-nitrophenol

Conditions

Conditions	Yield
In ethanol at 80℃; for 2h; Inert atmosphere;	100%

: 769-92-6
4-tert-Butylaniline

: 97-51-8
5-Nitrosalicylaldehyde

: 1207179-97-2
2-[(4-tert-butylphenylimino)methyl]-4-nitrophenol

Conditions

Conditions	Yield
In ethanol at 80℃; for 2h; Inert atmosphere;	100%

: 97-51-8
5-Nitrosalicylaldehyde

: 95-53-4
o-toluidine

: 119740-58-8
2-[(2-methylphenylimino)methyl]-4-nitrophenol

Conditions

Conditions	Yield
In ethanol at 80℃; for 2h; Inert atmosphere;	100%

: 97-51-8
5-Nitrosalicylaldehyde

: 109-81-9
N-methyl-ethane-1,2-diamine

: 1093074-50-0
2-[(2-(methylamino)ethylimino)methyl]-4-nitrophenol

Conditions

Conditions	Yield
In methanol Reflux;	100%
In methanol	82%
In methanol for 1h; Reflux;
In methanol for 1h; Reflux;

: 97-51-8
5-Nitrosalicylaldehyde

: 108-00-9
N,N-dimethylethylenediamine

: 1388789-71-6
2-[(2-dimethylamino-ethylamino)-methyl]-4-nitro-phenol

Conditions

Conditions	Yield
In methanol Reflux;	100%
In methanol for 1h; Reflux;
In methanol for 1h; Reflux;
In methanol for 1h; Reflux;

: 124-63-0
methanesulfonyl chloride

: 97-51-8
5-Nitrosalicylaldehyde

: 67326-25-4
2-formyl-4-nitrophenyl methanesulfonate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; for 2h;	100%
With triethylamine In dichloromethane at 0 - 20℃; for 22.1667h;	99%
With triethylamine In dichloromethane at 20℃; for 18h;	90%
With triethylamine In dichloromethane at 20℃; for 22h;

: 110-72-5
N-ethylethane-1,2-diamine

: 97-51-8
5-Nitrosalicylaldehyde

: 2-[(2-ethylamino-ethylimino)-methyl]-4-nitro-phenol

Conditions

Conditions	Yield
In methanol Reflux;	100%
In methanol for 1h; Reflux;

: 3949-36-8
3-acetylcoumarin

: 97-51-8
5-Nitrosalicylaldehyde

: C18H11NO6

Conditions

Conditions	Yield
With potassium hydroxide In ethanol Reflux;	100%

: 84714-76-1
9-Methylene-9H-thioxanthene

: 97-51-8
5-Nitrosalicylaldehyde

: 149-73-5
trimethyl orthoformate

: 4-methoxy-6-nitrospiro[chromane-2,9-thioxanthene]

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid In toluene at 20℃; for 1h; Inert atmosphere; regioselective reaction;	100%

...Expand

: 97-51-8
5-Nitrosalicylaldehyde

: 78-84-2
isobutyraldehyde

: 149-73-5
trimethyl orthoformate

: 2,4-dimethoxy-3,3-dimethyl-6-nitrochromane

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid In toluene at 60℃; for 24h; Inert atmosphere; stereoselective reaction;	100%

...Expand

: 97-51-8
5-Nitrosalicylaldehyde

: 2043-61-0
cyclohexanecarbaldehyde

: 149-73-5
trimethyl orthoformate

: 2,4-dimethoxy-6-nitrospiro[chromane-3,1'-cyclohexane]

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid In toluene at 60℃; for 24h; Inert atmosphere; stereoselective reaction;	100%

...Expand

: 97-51-8
5-Nitrosalicylaldehyde

: 16789-84-7
3-bromo-5-nitrosalicylaldehyde

Conditions

Conditions	Yield
With HMTAB In dichloromethane at 20℃; for 1h;	99%
With HMTAB In dichloromethane at 20℃; for 1.5h;	98%
With bromine In dichloromethane at 20℃; for 1h;	98%

: 57857-70-2
di-(p-methoxyphenyl)tellurium oxide

: 97-51-8
5-Nitrosalicylaldehyde

: bis oxide

Conditions

Conditions	Yield
In benzene Heating; azeotropic removal of water;	99%

: 97-51-8
5-Nitrosalicylaldehyde

: 106-95-6
allyl bromide

: 96601-09-1
5-nitro-2-(prop-2-en-1-yloxy)benzaldehyde

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 70℃; for 2h;	99%
With potassium carbonate In N,N-dimethyl-formamide at 70℃; for 2h;	98%
With potassium carbonate In N,N-dimethyl-formamide	98%

: 126-81-8
dimedone

: 97-51-8
5-Nitrosalicylaldehyde

: 2-(2,3,4,9-tetrahydro-3,3-dimethyl-7-nitro-1-oxo-1H-xanthen-9-yl)-3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one

Conditions

Conditions	Yield
With L-proline In ethanol at 60℃; for 0.5h; Green chemistry;	99%
With 1-methyl-3-(4-sulfobutyl)-1H-imidazol-3-ium hydrogensulfate In water at 85℃; for 2h;	98%
With ZnAl2O4 In ethanol at 80℃; for 0.166667h;	98%

: 1076-38-6
4-hydroxy[1]benzopyran-2-one

: 97-51-8
5-Nitrosalicylaldehyde

: 7-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-9-nitro-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-6-one

Conditions

Conditions	Yield
at 80℃; for 2h;	99%
With silica supported zirconium hydrogen sulfate In neat (no solvent) at 60℃; for 0.75h;	99%
With TiO2-carbon nanotubes nanocomposite In water at 20℃; for 2h; Green chemistry;	98%

: 2050-77-3
Iododecane

: 97-51-8
5-Nitrosalicylaldehyde

: 1073341-47-5
2-decyloxy-5-nitrobenzaldehyde

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 70 - 80℃; for 3h;	99%

: 97-51-8
5-Nitrosalicylaldehyde

: 95-54-5
1,2-diamino-benzene

: 88016-66-4
2-(1H-benzimidazol-2-yl)–4-nitrophenol

Conditions

Conditions	Yield
With sodium metabisulfite In N,N-dimethyl-formamide at 80℃; for 0.2h; Microwave irradiation;	99%
With triethylamine at 120℃; for 12h;	60.69%

: 97-51-8
5-Nitrosalicylaldehyde

: 534-85-0
N-phenyl-1,2-benzenediamine

: 1412893-67-4
4-nitro-2-(1-phenyl-1H-benzo[d]imidazol-2-yl)phenol

Conditions

Conditions	Yield
With sodium metabisulfite In N,N-dimethyl-formamide at 100℃; for 0.3h; Microwave irradiation;	99%

: 5407-57-8
N-(7-chloroquinolin-4-yl)ethylenediamine

: 97-51-8
5-Nitrosalicylaldehyde

: N-(2-((2-hydroxy-5-nitro-phenyl)methylimino)ethyl)-7-chloroquinolin-4-amine

Conditions

Conditions	Yield
In ethanol Reflux;	99%
In ethanol Heating;

: 2038-03-1
4-(2-AMINOETHYL)MORPHOLINE

: 97-51-8
5-Nitrosalicylaldehyde

: 868-85-9
Dimethyl phosphite

: dimethyl ((2-hydroxy-5-nitrophenyl)((2-morpholinoethyl)amino)methyl)phosphonate

Conditions

Conditions	Yield
With gadolinium (III) oxide In neat (no solvent) for 0.0333333h; Microwave irradiation; Green chemistry;	99%

...Expand

: 5418-63-3
1,2,3,3-tetramethyl-3H-indolium iodide

: 97-51-8
5-Nitrosalicylaldehyde

: 16650-15-0
2-(2-hydroxy-5-nitro-styryl)-1,3,3-trimethyl-3H-indolium betaine

Conditions

Conditions	Yield
In ethanol for 18h; Reflux;	99%

: 622-76-4
1-phenyl-1-butyne

: 97-51-8
5-Nitrosalicylaldehyde

: 149-73-5
trimethyl orthoformate

: 3-ethyl-2-methoxy-6-nitro-2-phenyl-2H-1-benzopyran

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid In toluene at 60℃; for 15h; Inert atmosphere; regioselective reaction;	99%

...Expand

5-Nitrosalicylaldehyde Standards and Recommendations

Assay: 99% min. (HPLC)

5-Nitrosalicylaldehyde Specification

The IUPAC name of this chemical is 2-hydroxy-5-nitrobenzaldehyde. With the CAS registry number 97-51-8, it is also named as 5-Nitrosalicylaldehyde; Benzaldehyde, 2-hydroxy-5-nitro-. The product's categories are fine chemical & intermediates; aromatic aldehydes & derivatives (substituted); benzaldehyde; aldehydes; carbonyl compounds. In addition, this chemical is yellow to brown crystals or powder which is sensitive to air and light.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.52; (4)ACD/LogD (pH 7.4): -0.19; (5)ACD/BCF (pH 5.5): 6.12; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 88.2; (8)ACD/KOC (pH 7.4): 1.75; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.666; (13)Molar Refractivity: 41.43 cm³; (14)Molar Volume: 111.3 cm³; (15)Polarizability: 16.42×10^-24 cm³; (16)Surface Tension: 70.5 dyne/cm; (17)Enthalpy of Vaporization: 56.19 kJ/mol; (18)Vapour Pressure: 0.000637 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Tautomer Count: 4; (21)Exact Mass: 167.021858; (22)MonoIsotopic Mass: 167.021858; (23)Topological Polar Surface Area: 83.1; (24)Heavy Atom Count: 12.

Preparation of 2-Hydroxy-5-nitrobenzaldehyde: It can be obtained by 1,3,5,7-tetraaza-adamantane and 4-nitro-phenol with the reagent 75percent polyphoshoric acid (PPA) at 100 °C. The reaction time is 2 hours and the yield is 69 %.

Uses of 2-Hydroxy-5-nitrobenzaldehyde: It is used as intermediates of medicine, spices, dyes and other organic synthesis. For example: It reacts with aniline to get 4-Nitro-2-(phenylimino-methyl)-phenol. This reaction needs reagent benzene and solvent ethanol at ambient temperature. The yield is 79 %.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. And it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES: O=Cc1cc(ccc1O)[N+]([O-])=O;
2. InChI: InChI=1/C7H5NO4/c9-4-5-3-6(8(11)12)1-2-7(5)10/h1-4,10H.

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	672mg/kg (672mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE WEAKNESS SKIN AND APPENDAGES (SKIN): HAIR: OTHER	National Technical Information Service. Vol. OTS0533628,
rat	LD50	oral	799mg/kg (799mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: DYSPNEA SKIN AND APPENDAGES (SKIN): HAIR: OTHER	National Technical Information Service. Vol. OTS0533615,

Product Name

5-Nitrosalicylaldehyde

Synthetic route

5-Nitrosalicylaldehyde Standards and Recommendations

5-Nitrosalicylaldehyde Specification

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