5-Methyl-1,3-benzenedicarboxylic acid
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5-Methyl-1,3-benzenedicarboxylic acid
structure -
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CAS No:
499-49-0
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Formula:
C9H8O4
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Chemical Name:
5-Methyl-1,3-benzenedicarboxylic acid
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Synonyms:
1,3-Benzenedicarboxylic acid,5-methyl-;Isophthalic acid,5-methyl-;5-Methyl-1,3-benzenedicarboxylic acid;Uvitic acid;5-Methylisophthalic acid;NSC 41436
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CAS No:
5-Methyl-1,3-benzenedicarboxylic acid Basic Attributes
180.16
180.16
207-881-2
41436
DTXSID50198143
2917399090
Characteristics
74.6
1.3
white powder
1.4±0.1 g/cm3
298 °C
408.7°C at 760 mmHg
215.1±21.9 °C
1.603
2.06E-07mmHg at 25°C
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S36/37/39
Xi:Irritant;
P261-P305 + P351 + P338
H315-H319-H335
5-Methyl-1,3-benzenedicarboxylic acid Use and Manufacturing
DIPEA (0.33 mL, 1.867 mmol) was added dropwise to a mixture of 4 (200 mg, 0.373 mmol) and ] 0.2111111 01211 (view 3) 2.61120, 0.10111111 011 ~ '- bis (3-pyridyl) pyridine-3, 5-dicarboxamide, Methyl isophthalic acid and 12.5 mL of H2O were successively added to a 25 mL beaker, stirred at room temperature for 60 min, The suspended mixture was obtained and the pH of the suspension mixture was adjusted to 6.9 with 0.5 mol / L NaOH solution, transferred to 25 mL of high pressureThe reactor was heated to 120 ° C at a heating rate of 10 ° C / h, and maintained at a temperature of 144 ° C under a hydrothermal condition at a cooling rate of 2.5 ° C / hThe temperature was lowered to room temperature to obtain a colorless crystal, which was washed alternately with deionized water and ethanol 4 times, and air-dried at room temperature to obtain[Zn (L2) (mip)] n, the yield of 81percent
Computed Properties
Molecular Weight:180.16
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:180.04225873
Monoisotopic Mass:180.04225873
Topological Polar Surface Area:74.6
Heavy Atom Count:13
Complexity:202
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Methyl-1,3-benzenedicarboxylic acid
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