Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Nitrosalicylaldehyde |
EINECS | 202-587-0 |
CAS No. | 97-51-8 | Density | 1.5 g/cm3 |
PSA | 83.12000 | LogP | 1.63610 |
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 | N/A | 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; |
Article Data | 88 |
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% |
Conditions | Yield |
---|---|
With ozone In methanol at -78℃; for 0.0833333h; Oxidation; | 94% |
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% |
2-hydroxy-5-nitrobenzyl alcohol
5-Nitrosalicylaldehyde
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% |
Conditions | Yield |
---|---|
With hexamethylenetetramine; trifluoroacetic acid at 85℃; for 15h; Duff Aldehyde Synthesis; | 92% |
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% |
2-(1-hydroxy-3-phenylprop-2-yn-1-yl)-4-nitrophenol
A
1,4-diphenyl-1,3-butadiyne
B
5-Nitrosalicylaldehyde
Conditions | Yield |
---|---|
With copper(II) acetate monohydrate In N,N-dimethyl-formamide at 110℃; for 5h; Solvent; Temperature; | A 91% B n/a |
5-Nitrosalicylaldehyde
Conditions | Yield |
---|---|
With tetrachlorosilane; silica gel In hexane; water for 0.5h; Heating; | 90% |
acetyloxy(2-acetyloxy-5-nitrophenyl)methyl acetate
A
5-Nitrosalicylaldehyde
B
2-acetoxy-5-nitrobenzaldehyde
Conditions | Yield |
---|---|
With bismuth(III) chloride In chloroform for 0.5h; deprotection; Heating; | A 5% B 80% |
2-hydroxy-5-nitrobenzaldehydephenylhydrazone
5-Nitrosalicylaldehyde
Conditions | Yield |
---|---|
With 3-carboxypyridinium chlorochromate In acetonitrile for 1.5h; Heating; | 77% |
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, |