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