Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

4-Ethylbenzenesulfonic acid

Related Products

Hot Products

Name

4-Ethylbenzenesulfonic acid

EINECS 202-693-7
CAS No. 98-69-1 Density 1.284 g/cm3
PSA 62.75000 LogP 2.57650
Solubility N/A Melting Point N/A
Formula C8H10O3S Boiling Point N/A
Molecular Weight 186.232 Flash Point >230 °F
Transport Information UN 2586 8/PG 3 Appearance N/A
Safety 26-27-28-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 98-69-1 (4-Ethylbenzenesulfonic acid) Hazard Symbols CorrosiveC
Synonyms

Benzenesulfonicacid, p-ethyl- (6CI,7CI,8CI);4-Ethylphenylsulfonic acid;p-Ethylbenzenesulfonic acid;

Article Data 16

4-Ethylbenzenesulfonic acid Specification

The 4-Ethylbenzenesulfonic acid, with its CAS registry number 98-69-1, has the systematic name of Benzenesulfonic acid, 4-ethyl-. This chemical is stable chemically while incompatible with strong oxidizing agents, strong bases. Beside, its product categories are including Organic Building Blocks; Sulfonic/Sulfinic Acids; Sulfur Compounds.

The characteristics of this chemical are as below: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.04; (4)ACD/LogD (pH 7.4): -2.04; (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; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 46.35 cm3; (15)Molar Volume: 145 cm3; (16)Polarizability: 18.37×10-24 cm3; (17)Surface Tension: 46.4 dyne/cm; (18)Density: 1.284 g/cm3; (19)Exact Mass: 186.035065; (20)MonoIsotopic Mass: 186.035065; (21)Topological Polar Surface Area: 62.8; (22)Heavy Atom Count: 12; (23)Complexity: 219.

Use of this chemical: 4-Ethylbenzenesulfonic acid could react to produce 4-ethyl-benzenesulfonyl chloride. This reaction could happen in the presence of the reagent of PCl5.

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 causes burns. 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, and wash immediately after contact with skin. 

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCC1=CC=C(C=C1)S(=O)(=O)O
(2)InChI: InChI=1S/C8H10O3S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H,9,10,11)
(3)InChIKey: BRIXOPDYGQCZFO-UHFFFAOYSA-N 

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 98-69-1