Name: PYRIDINE-2,4-DICARBOXYLIC ACID MONOHYDRATE
SKU: 207671-42-9

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Basic Information

Molecular Structure:
CAS No.:	207671-42-9
Name:	PYRIDINE-2,4-DICARBOXYLIC ACID MONOHYDRATE

Formula:	C₇H₇NO₅
Molecular Weight:	185.13
Synonyms:	2,4-Pyridinedicarboxylicacid, monohydrate (9CI);
EINECS:	207-892-2
Melting Point:	246-248 °C
Boiling Point:	668.9 °C at 760 mmHg
Flash Point:	358.4 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	96.72000
LogP:	0.41370

Synthetic route

: 207671-42-9
2,4-pyridinedicarboxylic acid monohydrate

: potassium hydroxide

: copper dichloride

: K2[Cu(pyridine-2,4-dicarboxylate)2]*2H2O

Conditions

Conditions	Yield
With KF In water High Pressure; aq. solns. 2 equiv. of N-compd., CuCl2 and 1.0 M KOH were stirred for 2 min, KF was added to adjust the Cu:OH:K ratio to 1:6:34.6, heating in a teflon-lined autoclave for 24 h at 200 °C; cooling to room temp. with 0.1 °C/min rate, crystals were filtered off, elem. anal.;	72%

...Expand

: copper(II) nitrate trihydrate

: 207671-42-9
2,4-pyridinedicarboxylic acid monohydrate

: 7732-18-5
water

: 5144-89-8
1,10-phenanthroline hydrate

: [Cu(2,4-pyridinedicarboxylate)(1,10-phenanthroline)(H2O)][Cu(2,4-pyridinedicarboxylate)2H2O]

Conditions

Conditions	Yield
With NaOH In water High Pressure; mixt. of Cu(NO3)2*3H2O, 2,4-pyridinedicarboxylic acid monohydrate, 1,10-phenanthroline monohydrate, NaOH, H2O placed in bomb, heated at 100°C for 4 d, cooled to room temp. slowly; filtered; elem. anal.;	71.4%

...Expand

: 207671-42-9
2,4-pyridinedicarboxylic acid monohydrate

: vanadia

: K3[VO(O2)2(2,4-pyridinedicarboxylato)] * 3.25H2O

Conditions

Yield

With KOH; H2O2 In water addn. of V2O5 to KOH soln., stirring with heating (15 min), then cooling (0°C), addn. of 30% H2O2, stirring (5 min), filtration, dissolving ppt. with H2O2, stirring combined filtrates (5 min, pptn.), addn. ofKOH and ligand, stirring (30 min); filtration, EtOH addn. (5°C, 12 h), filtration, dissolving the ppt. in 30% H2O2, fractional crystn. on EtOH addn. and cooling to 5°C, drying (vac.); elem. anal.;

57%

: 207671-42-9
2,4-pyridinedicarboxylic acid monohydrate

: copper dichloride

: manganese(ll) chloride

: [CuMn(pyridine-2,4-dicarboxylate)2]

Conditions

Conditions	Yield
With KOH; KCl In water High Pressure; 1.8 equiv. of the N-compd. neutralized with KOH and 1 equiv. of CuCl2 inH2O were stirred for 5 min, 1 equiv. of MnCl2 and KCl was added (Cu:OH: K molar ratio was 1:4:27), teflon-liend steel autoclave, 200 °C for 17 h; rapid cooling to room temp. by quenching in a water bath, crystals were filtered off in vac., elem. anal.;	46%

...Expand

: 207671-42-9
2,4-pyridinedicarboxylic acid monohydrate

: 7646-79-9
cobalt(II) chloride

: copper dichloride

: [CuCo(pyridine-2,4-dicarboxylate)2(H2O)4]

Conditions

Conditions	Yield
With benzene-1,2-dicarboxylic acid; KOH In water the N-compd. and 1 equiv. of phthalic acid were deprotonated with 1.0 M KOH, 0.5 equiv. of CuCl2 soln. was added dropwise, stirring for 5 min, 1.5 equiv. of CoCl2 was added (Cu:OH ratio was 1:4.5), teflon-lined autoclave, 190 °C for 24 h; slow cooling (6 h) to room temp., crystals were filtered off, elem. anal.;	32%
With KOH In water the N-compd. was deprotonated with 1.0 M KOH, 0.5 equiv. of CuCl2 soln. was added dropwise, stirring for 5 min, 1.5 equiv. of CoCl2 was added (Cu:OH ratio was 1:4.5), teflon-lined autoclave, 190 °C for 24 h;	0%

...Expand

: 207671-42-9
2,4-pyridinedicarboxylic acid monohydrate

: 7646-79-9
cobalt(II) chloride

: copper dichloride

: [Cu2Co3(pyridine-2,4-dicarboxylate)4(μ3-OH)2(H2O)]

Conditions

Conditions	Yield
With KOH In water High Pressure; 2 equiv. of N-compd. and 1.0 M KOH in H2O were added to CuCl2 soln., then 3 equiv. of CoCl2 soln. was added (Cu:OH ratio was 1:7), teflon-lined stainles steel autoclave, 200 °C over 14 h; cooling to 80 °C with 0.1 °C/min rate, crystals were manually sepd. from other two products under microscope, elem. anal.;	30%

...Expand

: 207671-42-9
2,4-pyridinedicarboxylic acid monohydrate

: 7732-18-5
water

: 7733-02-0
zinc(II) sulfate

: 518012-92-5
[Zn(2,4-pyridinedicarboxylate)(H2O)4]*H2O

Conditions

Conditions	Yield
With NaOH In water NaOH (4 mmol) soln. was added to an aq. suspn. of a ligand (2.0 mmol); stirring for 30 min; then ZnSO4 (2 mmol) soln. was added (final pH 4.04); slow evapn. of the soln. at 298 K; elem. anal.;

...Expand

: 207671-42-9
2,4-pyridinedicarboxylic acid monohydrate

: 7732-18-5
water

: 7733-02-0
zinc(II) sulfate

: 1310-73-2
sodium hydroxide

: Na2[Zn(2,4-pyridinedicarboxylate)2(H2O)2]*8H2O

Conditions

Conditions	Yield
In water NaOH (2 mmol) soln. was added to an aq. suspn. of a ligand (2.0 mmol); stirring for 30 min; then ZnSO4 (1 mmol) soln. was added (final pH 4.5); slow evapn. of the soln. at 298 K; elem. anal.;

...Expand

: nickel(II) sulfate hexahydrate

: 207671-42-9
2,4-pyridinedicarboxylic acid monohydrate

: 7732-18-5
water

: 1025760-77-3, 518013-06-4
[Ni(H2O)6][Ni(2,4-pyridinedicarboxylate)2(H2O)2]

Conditions

Conditions	Yield
With NaOH In water Ni-contg. compd. (2 mmol) was added to an aq. suspn. of a ligand (2.0 mmol); NaOH soln. (0.1 N) was added with stirring at 80°C; (final pH 4.21 at 298 K); slow evapn. of the soln. at 298 K; elem. anal.;

...Expand

: copper(II) nitrate trihydrate

: manganese(II) perchlorate hexahydrate

: 207671-42-9
2,4-pyridinedicarboxylic acid monohydrate

: 7732-18-5
water

: [Cu(2,4-pyridinedicarboxylic acid(-2H)(2-))2Mn(H2O)4]x

Conditions

Conditions	Yield
With NaOH In sodium hydroxide; water aq. NaOH; organic ligand dissolved in H2O and NaOH; metal salts combined; added toligand soln.; react. mixt. left for several weeks at room temp.; filtered; elem. anal.;

...Expand

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Specification

The 2,4-Pyridinedicarboxylicacid, hydrate (1:1), with the CAS registry number 207671-42-9, is also known as 2,4,-Pyridinedicarboxylic acid monohydrate. It belongs to the product categories of C7 and C8; Heterocyclic Building Blocks; Pyridines. Its EINECS registry number is 207-892-2. This chemical's molecular formula is C₇H₇NO₅ and molecular weight is 185.13. What's more, its systematic name is called Pyridine-2,4-dicarboxylic acid hydrate. It is should be kept in a cold and dry place.

Physical properties about 2,4-Pyridinedicarboxylicacid, hydrate (1:1) are: (1) # of Rule of 5 Violations: 0; (2) #H bond acceptors: 6; (3) #H bond donors: 4; (4) #Freely Rotating Bonds: 2; (5) Polar Surface Area: 74.72 Å²; (6) Flash Point: 358.4 °C; (7) Enthalpy of Vaporization: 103.28 kJ/mol; (8) Boiling Point: 668.9 °C at 760 mmHg; (9) Vapour Pressure: 8.31E-19 mmHg at 25 °C; (10) Melting Point: 246-248 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1nccc(C(=O)O)c1.O
(2) InChI: InChI=1/C7H5NO4.H2O/c9-6(10)4-1-2-8-5(3-4)7(11)12;/h1-3H,(H,9,10)(H,11,12);1H2
(3) InChIKey: PLNFTNOXJDBMSM-UHFFFAOYAZ