| Identification | More | [Name]
3-Nitrophthalic acid | [CAS]
603-11-2 | [Synonyms]
3-nitro-1,2-benzenedicarboxylic acid
3-NITROBENZENE-1,2-DICARBOXYLIC ACID
3-NITROPHTHALIC ACID
3-NPA
AKOS B028734
LABOTEST-BB LT01689746
RARECHEM AL BO 0803
1,2-Benzenedicarboxylic acid, 3-nitro-
3-nitro-2-benzenedicarboxylicacid
3-nitrophthalic
m-Nitrophthalic acid
Phthalic acid, 3-nitro-
m-Nitro Phthalic Acid 3-Nitro Phthalic Acid | [EINECS(EC#)]
210-030-8 | [Molecular Formula]
C8H5NO6 | [MDL Number]
MFCD00007138 | [Molecular Weight]
211.13 | [MOL File]
603-11-2.mol |
| Chemical Properties | Back Directory | [Appearance]
pale yellow crystals | [Melting point ]
210 °C (dec.) (lit.) | [Boiling point ]
350.79°C (rough estimate) | [density ]
1.6342 (rough estimate) | [vapor density ]
7.3 (vs air)
| [refractive index ]
1.5282 (estimate) | [storage temp. ]
Store below +30°C. | [solubility ]
water: soluble5%, clear to slightly hazy, colorless to faint yellow or tan | [form ]
Powder | [pka]
pK1:1.88 (25°C) | [color ]
Off-white to light yellow | [Stability:]
Stable. Incompatible with strong oxidizing agents. | [Water Solubility ]
20 g/L (25 ºC) | [Decomposition ]
216 °C | [Detection Methods]
HPLC,NMR | [BRN ]
2054269 | [InChI]
1S/C8H5NO6/c10-7(11)4-2-1-3-5(9(14)15)6(4)8(12)13/h1-3H,(H,10,11)(H,12,13) | [InChIKey]
KFIRODWJCYBBHY-UHFFFAOYSA-N | [SMILES]
OC(=O)c1cccc(c1C(O)=O)[N+]([O-])=O | [CAS DataBase Reference]
603-11-2(CAS DataBase Reference) | [NIST Chemistry Reference]
3-Nitrophthalic acid(603-11-2) | [EPA Substance Registry System]
603-11-2(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS05,GHS07 | [Signal word ]
Danger | [Hazard statements ]
H315-H318-H335 | [Precautionary statements ]
P261-P280-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R41:Risk of serious damage to eyes. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/39:Wear suitable protective clothing and eye/face protection .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [REACH Registrations]
Active | [HS Code ]
29173980 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Dam. 1
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
3-Nitrophthalic acid (CAS Number 603-11-2) is a Pale yellow crystals. It can be dissolved in hot water, methanol, and ethanol. It has limited solubility in ether and is insoluble in chloroform, carbon tetrachloride, carbon disulfide, and benzene.
| [Uses]
3-Nitrophthalic acid may be used as starting reagent in the synthesis of modified 2-iodoxybenzoic acid derivatives. It may be used in the synthesis of brucinium 2-carboxy-6-nitrophthalate dihydrate (systematic name: 2,3-dimethoxy-10-oxostrychnidinium 2-carboxy-6-nitrophthalate dihydrate), via heating with brucine. | [Preparation]
Phthalic anhydride was added to concentrated sulfuric acid, stirring under the passage of water vapor heating to 80 °C, fuming nitric acid was added dropwise, the reaction temperature to maintain 100-110°C, add the end of the heat above 110°C for 2h, placed in the overnight pour into the water, and filtered. The filter cake was recrystallized with water to obtain 3-Nitrophthalic acid. Yield of about 30%. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 39, p. 2468, 1974 DOI: 10.1021/jo00930a051 | [General Description]
3-Nitrophthalic acid is a degradation product of isoxaben herbicide. It acts as ligand and forms rare-earth complexes. | [Safety Profile]
A preparative hazard. When heated to decomposition it emits toxic fumes of NOx. | [Purification Methods]
Crystallise 3-nitrophthalic acid from hot water (1.5mL/g). Dry it in air. The amide has m 201o (from EtOH). [Beilstein 9 H 823, 9 IV 3275.] |
|
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J & K SCIENTIFIC LTD.
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18210857532 18210857532 |
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https://www.jkchemical.com |
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Alfa Aesar
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400-6106006 |
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http://chemicals.thermofisher.cn |
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Energy Chemical
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400-0056266 |
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www.energy-chemical.com |
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