CAS No.5284-66-2,1-Propanesulfonic acid Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	5284-66-2
Name:	1-Propanesulfonic acid
Article Data:	32

Formula:	C₃H₈O₃S
Molecular Weight:	124.161
Synonyms:	NSC 87882;
EINECS:	226-114-2
Density:	1.25
Melting Point:	8 ºC
Boiling Point:	200.95°C (rough estimate)
Appearance:	clear brown to dark brown liquid
Hazard Symbols:
Risk Codes:	R34
Safety:	S26;S36/37/39;S45
Transport Information:	UN 2586
PSA:	62.75000
LogP:	1.36500

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Specification

The 1-Propanesulfonic acid with cas registry number of 5284-66-2, belongs to the following product categories: (1)Organic Building Blocks; (2)Sulfonic/Sulfinic Acids; (3)Sulfur Compounds. Its systematic name and IUPAC name are the same, which is propane-1-sulfonic acid.

Physical properties about this chemical are: (1)ACD/LogP: -0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.06; (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: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.75 Å²; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 26.28 cm³; (15)Molar Volume: 96.5 cm³; (16)Polarizability: 10.41×10^-24cm³; (17)Surface Tension: 45.9 dyne/cm.

When you are using this chemical, please be cautious about it as the following:
The 1-Propanesulfonic acid may cause burns and it reacts violently with water. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)CCC;
(2)InChI: InChI=1/C3H8O3S/c1-2-3-7(4,5)6/h2-3H2,1H3,(H,4,5,6);
(3)InChIKey: KCXFHTAICRTXLI-UHFFFAOYAD;
(4)Std. InChI: InChI=1S/C3H8O3S/c1-2-3-7(4,5)6/h2-3H2,1H3,(H,4,5,6);
(5)Std. InChIKey: KCXFHTAICRTXLI-UHFFFAOYSA-N