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| CAS No.: | 636-73-7 |
|---|---|
| Name: | 3-Pyridinesulfonic acid |
| Molecular Structure: | |
|
|
|
| Formula: | C5H5NO3S |
| Molecular Weight: | 159.166 |
| Synonyms: | 3-Pyridylsulfonicacid;3-Sulfopyridine;NSC 246058;b-Sulfopyridine;Pyridine-3-sulfonic acid; |
| EINECS: | 211-265-9 |
| Density: | 1.509 g/cm3 |
| Melting Point: | >300 °C(lit.) |
| Flash Point: | > 66 |
| Solubility: | soluble in water |
| Appearance: | white to almost white crystalline powder |
| Hazard Symbols: |
 C
|
| Risk Codes: | 22-34 |
| Safety: | 26-27-36/37/39-45 |
| Transport Information: | UN 2585 8/PG 3 |
| PSA: | 75.64000 |
| LogP: | 1.40910 |
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| Conditions | Yield |
|---|---|
| With sulfuric acid at 320 - 330℃; im Rohr; | |
| With vanadium sulfate; sulfuric acid | |
| With sulfur trioxide; mercury(II) sulfate at 225 - 235℃; |
- 29452-57-1
4-amino-pyridine-3-sulfonic acid
- 636-73-7
3-pyridinesulfonic acid
| Conditions | Yield |
|---|---|
| Diazotization; |
| Conditions | Yield |
|---|---|
| at 260℃; |
- 636-73-7
3-pyridinesulfonic acid
| Conditions | Yield |
|---|---|
| With ethanol nachfolgend Eindampfen auf dem Wasserbad; |
- 110-86-1
pyridine
- 7664-93-9
sulfuric acid
A
- 626-64-2
pyridin-4-ol
B
- 5402-20-0
pyridine-4-sulfonic acid
C
- 636-73-7
3-pyridinesulfonic acid
| Conditions | Yield |
|---|---|
| at 330℃; |
| Conditions | Yield |
|---|---|
| at 300℃; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: zinc-dust / durch Destillation 2: concentrated sulfuric acid View Scheme |
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Specification
The 3-Pyridinesulfonic acid, with its CAS registry number 636-73-7, has the IUPAC name of pyridine-3-sulfonic acid. For being a kind of white to almost white crystalline powder, its product categories are including Pyridines, Pyrimidines, Purines and Pteredines; Pyridine; Organic acids. Besides, it is easily soluble in water, difficultly soluble in alcohol while insoluble in ether, benzene or triclene.
The characteristics of this chemical are as below: (1)ACD/LogP: -1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.42; (4)ACD/LogD (pH 7.4): -4.52; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 64.64; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 34.9 cm3; (15)Molar Volume: 105.4 cm3; (16)Polarizability: 13.83 10-24cm3; (17)Surface Tension: 61.9 dyne/cm; (18)Density: 1.509 g/cm3; (19)Exact Mass: 158.999014; (20)MonoIsotopic Mass: 158.999014; (21)Topological Polar Surface Area: 75.6; (22)Heavy Atom Count: 10; (23)Complexity: 193.
Use of this chemical: 3-Pyridinesulfonic acid could react to produce pyridine-3-sulfonyl chloride. This reaction could happen in the presence of the reagent of PCl5 with its reaction temperature of 120 ℃.
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When you are dealing with this kind of chemical, you should be cautious. This is corrosive which may destroy living tissue on contact, and it may cause burns. If swallowed, it will be very dangerous. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice, and if in case of accident or if you feel unwell seek medical advice immediately (show the label where possible). Then take off immediately all contaminated clothing if contact.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC(=CN=C1)S(=O)(=O)O
(2)InChI: InChI=1S/C5H5NO3S/c7-10(8,9)5-2-1-3-6-4-5/h1-4H,(H,7,8,9)
(3)InChIKey: DVECLMOWYVDJRM-UHFFFAOYSA-N
Below are the toxicity information of this chemical:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| quail | LD50 | oral | > 316mg/kg (316mg/kg) | Ecotoxicology and Environmental Safety. Vol. 6, Pg. 149, 1982. |