ChemicalBook--->CAS DataBase List--->610-29-7

610-29-7

610-29-7 Structure

610-29-7 Structure
IdentificationMore
[Name]

Nitroterephthalic acid
[CAS]

610-29-7
[Synonyms]

2-NITRO-1,4-DIBENZOIC ACID
2-NITROBENZENE-1,4-DIOIC ACID
2-NITROTEREPHTHALIC ACID
NITROTEREPHTHALIC ACID
2-nitro-4-benzenedicarboxylicacid
2-Nitrobenzene-1,4-dicarboxylic acid
NITROTEREPHTHALIC ACID, 99+%
NITROTEREPHTHALIC ACID2-NITRO-1,4-DIBENZOIC ACID
2-Nitro-p-phthalic acid
3-Nitroterephthalic acid
[EINECS(EC#)]

210-217-4
[Molecular Formula]

C8H5NO6
[MDL Number]

MFCD00007141
[Molecular Weight]

211.13
[MOL File]

610-29-7.mol
Chemical PropertiesBack Directory
[Appearance]

white crystalline powder
[Melting point ]

270-272 °C (lit.)
[Boiling point ]

350.79°C (rough estimate)
[density ]

1.6342 (rough estimate)
[refractive index ]

1.5282 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

almost transparency in Methanol
[form ]

Powder
[pka]

pK1:1.73 (25°C)
[color ]

White to light beige
[BRN ]

1913836
[InChI]

InChI=1S/C8H5NO6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)
[InChIKey]

QUMITRDILMWWBC-UHFFFAOYSA-N
[SMILES]

C1(C(O)=O)=CC=C(C(O)=O)C=C1[N+]([O-])=O
[CAS DataBase Reference]

610-29-7(CAS DataBase Reference)
[EPA Substance Registry System]

610-29-7(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

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
[TSCA ]

Yes
[HS Code ]

29173990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Nitroterephthalic acid(610-29-7).msds
Hazard InformationBack Directory
[Chemical Properties]

white crystalline powder
[Uses]

Nitroterephthalic acid is used as a ligand in the synthesis of MOF materials.
[Synthesis]

Terephthalic acid

100-21-0

Nitroterephthalic acid

610-29-7

The general procedure for synthesizing 2-nitroterephthalic acid from terephthalic acid (PTA) is as follows: 1 wt. part of PTA is mixed with 8 wt. parts of concentrated sulfuric acid at a concentration of 82% at 5°C, and 1 wt. part of 66% concentrated nitric acid is slowly added. The reaction mixture was heated to 60°C and maintained for 1 hour. Upon completion of the reaction, it was cooled to room temperature and vacuum filtered. The filter cake was mixed well with deionized water and heated to 80°C for 10 hours of reaction. The vacuum filtration operation was repeated until the filtrate was recrystallized in ice water. After filtration, the filtrate was dried under vacuum at 60 °C for 2 h to obtain 2-nitro terephthalic acid (PTANitro compound) with 93% purity and 68.6% yield.

[References]

[1] RSC Advances, 2016, vol. 6, # 10, p. 8495 - 8502
[2] Patent: CN103664684, 2016, B. Location in patent: Paragraph 0038
[3] Monatshefte fuer Chemie, 1886, vol. 7, p. 140
[4] Chemische Berichte, 1877, vol. 10, p. 145
[5] Justus Liebigs Annalen der Chemie, 1862, vol. 121, p. 90
Spectrum DetailBack Directory
[Spectrum Detail]

Nitroterephthalic acid(610-29-7)MS
Nitroterephthalic acid(610-29-7)1HNMR
Nitroterephthalic acid(610-29-7)13CNMR
Nitroterephthalic acid(610-29-7)IR1
Nitroterephthalic acid(610-29-7)IR2
Nitroterephthalic acid(610-29-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Nitroterephthalic acid, 99+%(610-29-7)
[Alfa Aesar]

Nitroterephthalic acid, 99%(610-29-7)
[Sigma Aldrich]

610-29-7(sigmaaldrich)
[TCI AMERICA]

Nitroterephthalic Acid,>98.0%(GC)(T)(610-29-7)
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