ChemicalBook--->CAS DataBase List--->603-11-2

603-11-2

603-11-2 Structure

603-11-2 Structure
IdentificationMore
[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
3-NitrophthalicAcid,>99%
3-Nitrophthalic acid 96%
3-NITROPHTHALIC ACID pure
3 NITRO PHTHALLIC ACID
o-Nitrophthalic acid
[EINECS(EC#)]

210-030-8
[Molecular Formula]

C8H5NO6
[MDL Number]

MFCD00007138
[Molecular Weight]

211.13
[MOL File]

603-11-2.mol
Chemical PropertiesBack Directory
[Appearance]

pale yellow crystals
[Melting point ]

210 °C (dec.) (lit.)
[mp ]

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
[pka]

pK1:1.88 (25°C)
[form ]

Powder
[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
[InChIKey]

KFIRODWJCYBBHY-UHFFFAOYSA-N
[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)
Questions And AnswerBack Directory
[Uses]

3-Nitrophthalic Acid is a useful chemical in organic synthesis. It is also an impurity of Apremilast.
Safety DataBack Directory
[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
[HS Code ]

29173980
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Nitric acid
[Preparation Products]

3-Aminophthalhydrazide-->Candesartan-->2-Amino-6-nitrobenzoic acid-->3-Nitrophthalic anhydride-->3-CHLOROPHTHALIC ANHYDRIDE-->3-Nitrophthalonitrile-->2-Bromo-3-nitroaniline-->2-Amino-3-nitrobenzamide-->DIMETHYL 3-NITROPHTHALATE-->Ethyl-2-Ethoxy-1-[[(2'-(1h-Tetrazol-5-Yl)Biphenyl-4-Yl)Methyl]Benzimidazole]-7-Carboxylate-->Ethyl-3-Amino-2-[(2'-Cyanoiphenyl-4-yl) Methyl]-Amino Benzoate-->4-Nitrophthalic acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Nitro-1,2-benzenedicarboxylic acid(603-11-2).msds
Hazard InformationBack Directory
[Chemical Properties]

pale yellow crystals
[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.]
Spectrum DetailBack Directory
[Spectrum Detail]

3-Nitrophthalic acid(603-11-2)MS
3-Nitrophthalic acid(603-11-2)1HNMR
3-Nitrophthalic acid(603-11-2)13CNMR
3-Nitrophthalic acid(603-11-2)IR1
3-Nitrophthalic acid(603-11-2)IR2
3-Nitrophthalic acid(603-11-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Nitrophthalic acid, 95%(603-11-2)
[Alfa Aesar]

3-Nitrophthalic acid, 95%(603-11-2)
[Sigma Aldrich]

603-11-2(sigmaaldrich)
[TCI AMERICA]

3-Nitrophthalic Acid,>98.0%(LC)(T)(603-11-2)
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