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3-Pyridinesulfonic acid

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  • Name 3-Pyridinesulfonic acid
  • EINECS211-265-9
  • CAS No. 636-73-7
  • Density1.509 g/cm3
  • PSA75.64000
  • LogP1.40910
  • Solubilitysoluble in water
  • Melting Point>300 °C(lit.)
  • FormulaC5H5NO3S
  • Boiling PointN/A
  • Molecular Weight159.166
  • Flash Point> 66
  • Transport InformationUN 2585 8/PG 3
  • Appearancewhite to almost white crystalline powder
  • Safety26-27-36/37/39-45
  • Risk Codes22-34
  • Molecular Structure
    Molecular Structure of 636-73-7 (3-Pyridinesulfonic acid)
  • Hazard SymbolsCorrosiveC
  • SynonymsCorrosiveC

3-Pyridinesulfonic acid Synthetic route

110-86-1

pyridine

636-73-7

3-pyridinesulfonic acid

Conditions
ConditionsYield
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
ConditionsYield
Diazotization;
110-86-1

pyridine

7664-93-9

sulfuric acid

636-73-7

3-pyridinesulfonic acid

110-86-1

pyridine

7664-93-9

sulfuric acid

7446-11-9

sulfur trioxide

636-73-7

3-pyridinesulfonic acid

110-86-1

pyridine

7664-93-9

sulfuric acid

mercury(II) sulfate

636-73-7

3-pyridinesulfonic acid

Conditions
ConditionsYield
at 260℃;
diazotized 4-amino-pyridine-sulfonic acid-(3)

diazotized 4-amino-pyridine-sulfonic acid-(3)

636-73-7

3-pyridinesulfonic acid

Conditions
ConditionsYield
With ethanol nachfolgend Eindampfen auf dem Wasserbad;
110-86-1

pyridine

sulfuric acid-monohydrate

sulfuric acid-monohydrate

636-73-7

3-pyridinesulfonic acid

110-86-1

pyridine

7664-93-9

sulfuric acid

mercury(II) sulfate

A

626-64-2

pyridin-4-ol

B

5402-20-0

pyridine-4-sulfonic acid

C

636-73-7

3-pyridinesulfonic acid

Conditions
ConditionsYield
at 330℃;
110-89-4

piperidine

7664-93-9

sulfuric acid

A

110-86-1

pyridine

B

636-73-7

3-pyridinesulfonic acid

C

pyridine-disulfonic acid-(3.5)

pyridine-disulfonic acid-(3.5)

Conditions
ConditionsYield
at 300℃;
109-00-2

3-HYDROXYPYRIDINE

636-73-7

3-pyridinesulfonic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: zinc-dust / durch Destillation
2: concentrated sulfuric acid
View Scheme

3-Pyridinesulfonic acid 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 ℃.

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.

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