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Name |
3-Nitro-4,5-dihydroxybenzaldehyde |
EINECS | 441-810-8 |
CAS No. | 116313-85-0 | Density | 1.667 g/cm3 |
PSA | 103.35000 | LogP | 1.34170 |
Solubility | soluble in methanol | Melting Point |
147 °C |
Formula | C7H5NO5 | Boiling Point | 310.9 °C at 760 mmHg |
Molecular Weight | 183.12 | Flash Point | 141.1 °C |
Transport Information | N/A | Appearance | yellow color crystalline powder. |
Safety | 26-36/37-45 | Risk Codes | 25-36-43 |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
3,4-Dihydroxy-5-nitrobenzaldehyde;Benzaldehyde, 3,4-dihydroxy-5-nitro-;BRN 3283877; |
Article Data | 27 |
isonitrovanillin
3,4-dihydroxy-5-nitrobenzaldehyde
Conditions | Yield |
---|---|
With hydrogen bromide; acetic acid In water at 110℃; for 39h; | 100% |
With pyridine; aluminium trichloride In chloroform for 24h; ether cleavage; Heating; | 98% |
With hydrogen bromide; acetic acid In water for 8h; Heating; | 96% |
vanillin
3,4-dihydroxy-5-nitrobenzaldehyde
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: diethyl ether; mixture of gaseous nitrogen oxides 2: fuming hydrochloric acid / 140 °C View Scheme | |
Multi-step reaction with 2 steps 1: nitric acid; acetic acid / 0 - 20 °C 2: hydrogen bromide / water / 4 h / Reflux View Scheme | |
Multi-step reaction with 2 steps 1.1: acetic acid; nitric acid / water / 4 h / 15 - 30 °C 2.1: tetrabutylammomium bromide; aluminum (III) chloride / dichloromethane / 0.5 h / 0 - 10 °C / Reflux 2.2: 25 h / 0 - 10 °C / Reflux View Scheme |
Conditions | Yield |
---|---|
With acetic acid In conc. hydrobromic acid; water | 5.66 kg (80%) |
isovanillin
3,4-dihydroxy-5-nitrobenzaldehyde
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: nitric acid / acetic acid 2: aluminum (III) chloride; pyridine / chloroform / Reflux View Scheme |
3-hydroxy-4-methoxy-5-nitrobenzaldehyde
3,4-dihydroxy-5-nitrobenzaldehyde
Conditions | Yield |
---|---|
With pyridine; aluminum (III) chloride In chloroform Reflux; |
N-(3-chlorophenyl)-2-cyanoacetamide
3,4-dihydroxy-5-nitrobenzaldehyde
C16H10ClN3O5
Conditions | Yield |
---|---|
With piperidine; acetic acid In toluene Knoevenagel condensation; Reflux; | 98% |
2-cyano-N-(4-methoxyphenyl)acetamide
3,4-dihydroxy-5-nitrobenzaldehyde
C17H13N3O6
Conditions | Yield |
---|---|
With piperidine; acetic acid In toluene Knoevenagel condensation; Reflux; | 95% |
3,4-dihydroxy-5-nitrobenzaldehyde
3,4-dihydroxy-5-nitrobenzoic acid
Conditions | Yield |
---|---|
With sodium chlorite; sodium dihydrogenphosphate dihydrate In water; dimethyl sulfoxide at 50℃; for 16.8333h; | 94% |
With xanthin for 20h; pH=7.4; Enzymatic reaction; |
3,4-dihydroxy-5-nitrobenzaldehyde
benzyl bromide
3-benzyloxy-4-hydroxy-5-nitro-benzaldehyde
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 140℃; for 48h; Alkylation; | 93% |
With sodium hydride In N,N-dimethyl-formamide | 85% |
Stage #1: 3,4-dihydroxy-5-nitrobenzaldehyde With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; Inert atmosphere; Stage #2: benzyl bromide In N,N-dimethyl-formamide; mineral oil at 0℃; for 1h; Inert atmosphere; Stage #3: With acetic acid In N,N-dimethyl-formamide; mineral oil at 20℃; Inert atmosphere; | 81% |
3,4-dihydroxy-5-nitrobenzaldehyde
2-cyano-N-[3-(2-cyanoacetylamino)propyl]acetamide
Conditions | Yield |
---|---|
With 3-amino propanoic acid In ethanol for 4.5h; Heating; | 92% |
Product Name: 3-Nitro-4,5-dihydroxybenzaldehyde (CAS NO.116313-85-0)
Molecular Formula: C7H5NO5
Molecular Weight: 183.12g/mol
Mol File: 116313-85-0.mol
Melting Point: 147 °C
Boiling point: 310.9 °C at 760 mmHg
Flash Point: 141.1 °C
Density: 1.667 g/cm3
Index of Refraction: 1.718
Molar Refractivity: 43.31 cm3
Molar Volume: 109.8 cm3
Surface Tension: 89.6 dyne/cm
Enthalpy of Vaporization: 57.38 kJ/mol
Vapour Pressure: 0.000319 mmHg at 25°C
XLogP3-AA: 1.1
H-Bond Donor: 2
H-Bond Acceptor: 5
Structure Descriptors of 3-Nitro-4,5-dihydroxybenzaldehyde (CAS NO.116313-85-0):
IUPAC Name: 3,4-dihydroxy-5-nitrobenzaldehyde
Canonical SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)O)C=O
InChI: InChI=1S/C7H5NO5/c9-3-4-1-5(8(12)13)7(11)6(10)2-4/h1-3,10-11H
InChIKey: BBFJODMCHICIAA-UHFFFAOYSA-N
Product Categories: Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; pharmaceutical intermediates
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LDLo | oral | 312mg/kg (312mg/kg) | Helvetica Chimica Acta. Vol. 72, Pg. 952, 1989. |
Combustion Products: These products include toxic carbon oxides (CO,CO 2), nitrogen oxides (NOx).
SMALL FIRE: Use DRY chemical powder.
LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
RTECS: CU5665000
3-Nitro-4,5-dihydroxybenzaldehyde , its CAS NO. is 116313-85-0, the synonyms are 3,4-Dihydroxy-5-nitrobenzaldehyde ; Benzaldehyde, 3,4-dihydroxy-5-nitro- .