3-Pyridinesulfonicacid, 4-chloro- supplier

Name
4-CHLORO-3-PYRIDINESULFONIC ACID
EINECS
CAS No. 51498-38-5
Density 1.649 g/cm³
Solubility
Melting Point 318-321 °C
Formula C₅H₄ClNO₃S
Boiling Point
Molecular Weight 193.611
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-pyridinesulfonic acid, 4-chloro-;4-Chloropyridine-3-sulfonic acid;4-chloropyridine-3-sulfonic acid;
PSA 75.64000
LogP 2.06250

3-Pyridinesulfonicacid, 4-chloro- Specification

The 3-Pyridinesulfonicacid, 4-chloro-, with the CAS registry number 51498-38-5, has the systematic name of 4-chloropyridine-3-sulfonic acid. It belongs to the product category of Pyridines. And the molecular formula of the chemical is C₅H₄ClNO₃S.

The characteristics of 3-Pyridinesulfonicacid, 4-chloro- are as followings: (1)ACD/LogP: -0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.31; (4)ACD/LogD (pH 7.4): -4.32; (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 Å²; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 39.72 cm³; (15)Molar Volume: 117.3 cm³; (16)Polarizability: 15.74×10^-24cm³; (17)Surface Tension: 64.7 dyne/cm; (18)Density: 1.649 g/cm³.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1ccncc1S(=O)(=O)O
(2)InChI: InChI=1/C5H4ClNO3S/c6-4-1-2-7-3-5(4)11(8,9)10/h1-3H,(H,8,9,10)
(3)InChIKey: CFUZNCDDZQWQBU-UHFFFAOYAG

Product Name

4-CHLORO-3-PYRIDINESULFONIC ACID

3-Pyridinesulfonicacid, 4-chloro- Specification

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