4-Nitrophthalonitrile
4-nitrophthalic acid
Conditions | Yield |
---|---|
With 1-butyl-3-methylimidazolium hydrogen sulfate; water at 60 - 65℃; for 2.45h; Green chemistry; | 95% |
Conditions | Yield |
---|---|
With sulfuric acid; nitric acid at 80 - 110℃; | A 80% B n/a |
With sulfuric acid; nitric acid | |
With sulfuric acid; nitric acid at 25℃; |
Conditions | Yield |
---|---|
With potassium permanganate In water at 20℃; for 12h; Sonication; | 50% |
With potassium permanganate In water for 12h; Sonication; | 50% |
With nitric acid at 170 - 180℃; im geschlossenen Rohr; | |
Multi-step reaction with 2 steps 1: NBS, (PhCO)2O2 / CCl4 2: KMnO4, aq. K2CO3 View Scheme |
Conditions | Yield |
---|---|
With sulfuric acid; nitric acid | |
With sulfuric acid; nitric acid | |
Stage #1: phthalic anhydride With sulfuric acid for 0.166667h; Stage #2: With nitric acid at 70℃; for 1h; Temperature; |
Conditions | Yield |
---|---|
With potassium dichromate; sulfuric acid |
5-nitro-3H-isobenzofuran-1-one
4-nitrophthalic acid
Conditions | Yield |
---|---|
With nitric acid at 140℃; im geschlossenen Rohr; | |
With potassium permanganate; water |
6-nitrotetralin
4-nitrophthalic acid
Conditions | Yield |
---|---|
With permanganate(VII) ion anschliessend behandeln in Schwefelsaeure; |
Conditions | Yield |
---|---|
With nitric acid |
2,4,7-trinitro-1-naphthalenol
4-nitrophthalic acid
Conditions | Yield |
---|---|
With nitric acid |
6-nitroindan-1-one
4-nitrophthalic acid
Conditions | Yield |
---|---|
With alkaline permanganate |
2-cyano-5-nitrotoluene
4-nitrophthalic acid
Conditions | Yield |
---|---|
With sodium hydroxide; permanganate(VII) ion |
Conditions | Yield |
---|---|
With potassium permanganate |
3-hydroxy-7-nitro-naphthalene-1-sulfonic acid
4-nitrophthalic acid
Conditions | Yield |
---|---|
With water; permanganate(VII) ion |
benzene-1,2-dicarboxylic acid
A
4-nitrophthalic acid
B
3-nitrophthalic acid
Conditions | Yield |
---|---|
With sulfuric acid; nitric acid | |
With nitric acid at 30℃; | |
With sulfuric acid; nitric acid |
Conditions | Yield |
---|---|
With potassium permanganate; potassium carbonate |
Conditions | Yield |
---|---|
With sulfuric acid at 195 - 205℃; |
Conditions | Yield |
---|---|
With potassium hydroxide; nitric acid 1.) reflux, 10 min, 2.) reflux, 3 min; Yield given. Multistep reaction; |
1,1,2,2-Tetrachlor-4-nitro-benzocyclobuten
4-nitrophthalic acid
Conditions | Yield |
---|---|
With sulfuric acid; sulfur trioxide |
Conditions | Yield |
---|---|
at 140℃; |
hydrogenchloride
6-nitro-2,3-dihydrophthalazine-1,4-dione
A
4-nitrophthalic acid
B
hydrazine
Conditions | Yield |
---|---|
at 150℃; im Rohr; |
5-nitroisoindoline
A
4-nitrophthalic acid
nitric acid
benzene-1,2-dicarboxylic acid
A
4-nitrophthalic acid
B
3-nitrophthalic acid
Conditions | Yield |
---|---|
at 30℃; Product distribution; |
benzene-1,2-dicarboxylic acid
A
4-nitrophthalic acid
B
3-nitrophthalic acid
4-nitrophthalic acid
Conditions | Yield |
---|---|
With nitric acid |
4-nitrophthalic acid
Conditions | Yield |
---|---|
With nitric acid |
4-nitrophthalic acid
Conditions | Yield |
---|---|
With sodium hydroxide; water versetzen mit Salpetersaeure; |
Conditions | Yield |
---|---|
at 170 - 180℃; |
methanesulfonic acid
4-nitrophthalic acid
4-amino-phthalic acid dimethyl ester
Conditions | Yield |
---|---|
Stage #1: methanesulfonic acid; 4-nitrophthalic acid In methanol Reflux; Stage #2: With palladium on activated charcoal; hydrogen In methanol; water at 37℃; for 9h; | 100% |
4-nitrophthalic acid
(4-nitro-1,2-phenylene)dimethanol
Conditions | Yield |
---|---|
With sodium tetrahydroborate; boron trifluoride diethyl etherate In 1,2-dimethoxyethane | 99% |
With borane-THF In tetrahydrofuran at 0 - 20℃; | 98% |
With borane-THF In tetrahydrofuran at 0 - 20℃; for 0.001875h; Inert atmosphere; | 98% |
Conditions | Yield |
---|---|
With sulfuric acid In ethanol at 100℃; for 24h; | 98% |
With sulfuric acid for 15h; Dean-Stark; Reflux; | 97% |
With hydrogenchloride at 80℃; for 72h; Esterification; | 78% |
Conditions | Yield |
---|---|
With sulfuric acid for 15h; Dean-Stark; Reflux; | 97% |
Conditions | Yield |
---|---|
With hydrogen; 5%-palladium/activated carbon In ethanol at 20℃; for 3h; | 96% |
With hydrogen; 5%-palladium/activated carbon In ethanol at 20℃; for 3h; | 96% |
With palladium 10% on activated carbon; hydrogen In methanol at 20℃; for 2h; | 93% |
4-nitrophthalic acid
4-amino-benzoic acid
4-(5-nitro-1,3-dioxoisoindolin-2-yl)benzoic acid
Conditions | Yield |
---|---|
In acetonitrile at 180℃; for 0.5h; Reagent/catalyst; Temperature; Inert atmosphere; Sealed tube; | 96% |
Conditions | Yield |
---|---|
With sulfuric acid for 15h; Dean-Stark; Reflux; | 96% |
Conditions | Yield |
---|---|
With acetic anhydride | 93% |
With acetic anhydride 1) 60 deg C, 1 h; 2) reflux, 10 min; | 90% |
With acetic anhydride for 0.333333h; Heating; | 88% |
4-nitrophthalic acid
4-nitrophthalic acid chloride
Conditions | Yield |
---|---|
With thionyl chloride at 78℃; for 3.25h; | 93% |
With phosphorus pentachloride | |
With thionyl chloride | |
With thionyl chloride |
4-nitrophthalic acid
N-(hydroxycarbonylmethyl)pyridinium bromide
Conditions | Yield |
---|---|
With acetic anhydride; triethylamine In acetonitrile Condensation; Heating; | 92% |
2-Ethylhexyl alcohol
4-nitrophthalic acid
bis(2-ethylhexyl) 4-nitrophthalate
Conditions | Yield |
---|---|
With titanium(IV) isopropylate at 150℃; for 4h; | 91.1% |
With titanium(IV) isopropylate at 150℃; for 4h; | 86% |
4-nitrophthalic acid
Conditions | Yield |
---|---|
With acetic anhydride; triethylamine In acetic acid; acetonitrile Condensation; acylation; Heating; | 88% |
Conditions | Yield |
---|---|
With urea In neat (no solvent) heating a mixture of copper sulphate pentahydrate, 4-nitrophthalic aicd, a catalytic quantity of NH4Cl/(NH4)2MoO4 and an excess of urea at 185°C for 5 h; elem. anal.; | 88% |
1,3-diazido 2-propanol
4-nitrophthalic acid
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; Green chemistry; | 88% |
Conditions | Yield |
---|---|
In methanol; ethanol | 87.87% |
Conditions | Yield |
---|---|
In methanol for 0.25h; | 87.75% |
Conditions | Yield |
---|---|
In methanol; ethanol | 85.96% |
ethanol
4-nitrophthalic acid
water
zinc(II) acetate dihydrate
trans-1,2-bis(4-pyridyl)ethylene
Conditions | Yield |
---|---|
at 120℃; for 96h; Autoclave; | 85% |
2-(1H-imidazol-1-yl)-1-phenylethanone
4-nitrophthalic acid
Conditions | Yield |
---|---|
In methanol; ethanol | 83.05% |
Conditions | Yield |
---|---|
In methanol | 81.85% |
Conditions | Yield |
---|---|
In methanol | 81.25% |
Conditions | Yield |
---|---|
In water; N,N-dimethyl-formamide at 95℃; for 336h; | 81% |
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; Green chemistry; | 79% |
Conditions | Yield |
---|---|
In methanol; ethanol at 20℃; | 78.58% |
Conditions | Yield |
---|---|
In methanol | 78.02% |
Conditions | Yield |
---|---|
In methanol | 78.02% |
Conditions | Yield |
---|---|
In methanol at 20℃; for 480h; | 77.71% |
Conditions | Yield |
---|---|
With sulfuric acid for 18.1667h; Reflux; | 76% |
With hydrogenchloride | |
With sulfuric acid |
Molecule structure of 4-Nitrophthalic acid (CAS NO.610-27-5):
IUPAC Name: 4-Nitrophthalic acid
Molecular Weight: 211.1284 g/mol
Molecular Formula: C8H5NO6
Density: 1.671 g/cm3
Melting Point: 159-161 °C(lit.)
Boiling Point: 459.5 °C at 760 mmHg
Flash Point: 207.6 °C
Index of Refraction: 1.66
Molar Refractivity: 46.65 cm3
Molar Volume: 126.3 cm3
Polarizability: 18.49×10-24 cm3
Surface Tension: 88 dyne/cm
Enthalpy of Vaporization: 75.86 kJ/mol
Vapour Pressure: 3.09E-09 mmHg at 25 °C
XLogP3: 0.9
H-Bond Donor: 2
H-Bond Acceptor: 6
Rotatable Bond Count: 2
Exact Mass: 211.011687
MonoIsotopic Mass: 211.011687
Topological Polar Surface Area: 118
Heavy Atom Count: 15
Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O
InChI: InChI=1S/C8H5NO6/c10-7(11)5-2-1-4(9(14)15)3-6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey: SLBQXWXKPNIVSQ-UHFFFAOYSA-N
EINECS: 210-215-3
Product Categories: Phthalic Acids, Esters and Derivatives; Organic acids; Aromatics Compounds; Aromatics; C8; Carbonyl Compounds; Carboxylic Acids
4-Nitrophthalic acid (CAS NO.610-27-5) is used as intermediates in organic synthesis.
Adding 4-nitrophenyl-dicarboximide to sodium hydroxide solution, heated to boiling, adding concentrated nitric acid to acidic solution on litmus, the solution boiled 3min, cool to room temperature, extracted with ether. The extract was dried by sodium sulfide, except ether, get 4-nitro-phthalic acid, the yield of 96% -99%.
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
HS Code: 29173980
4-Nitrophthalic acid (CAS NO.610-27-5) is also named as 5-Nitrophthalic acid ; AI3-08820 ; NSC 5395 ; Phthalic acid, 4-nitro- ; 1,2-Benzenedicarboxylic acid, 4-nitro- . 4-Nitrophthalic acid (CAS NO.610-27-5) is light-beige solid.
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