3-Pyridinesulfonicacid, 2-chloro- supplier

Name
2-CHLOROPYRIDINE-3-SULFONIC ACID
EINECS
CAS No. 6602-56-8
Article Data3
CAS DataBase
Density 1.649 g/cm³
Solubility
Melting Point 276-280℃
Formula C₅H₄ClNO₃S
Boiling Point
Molecular Weight 193.611
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-3-pyridinesulfonicacid;2-Chloropyridine-3-sulphonic acid;
PSA 75.64000
LogP 2.06250

3-Pyridinesulfonicacid, 2-chloro- Specification

The systematic name of 3-Pyridinesulfonicacid, 2-chloro- is 2-chloropyridine-3-sulfonic acid. With the CAS registry number 6602-56-8, it is also named as 2-Chloropyridine-3-sulphonic acid. The product's category is Pyridines. In addition, its molecular formula is C₅H₄ClNO₃S and its molecular weight is 193.61.

The other characteristics of 3-Pyridinesulfonicacid, 2-chloro- can be summarized as: (1)ACD/LogP: -0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.09; (4)ACD/LogD (pH 7.4): -4.09; (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.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=S(=O)(O)c1cccnc1Cl
(2)InChI: InChI=1/C5H4ClNO3S/c6-5-4(11(8,9)10)2-1-3-7-5/h1-3H,(H,8,9,10)
(3)InChIKey: VBJDRRWFZIWJOS-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C5H4ClNO3S/c6-5-4(11(8,9)10)2-1-3-7-5/h1-3H,(H,8,9,10)
(5)Std. InChIKey: VBJDRRWFZIWJOS-UHFFFAOYSA-N

Product Name

2-CHLOROPYRIDINE-3-SULFONIC ACID

3-Pyridinesulfonicacid, 2-chloro- Specification

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