| Identification | More | [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 Properties | Back 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 Data | Back 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 |
| Hazard Information | Back Directory | [Chemical Properties]
white crystalline powder | [Synthesis]
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 |
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