Toluene-alpha-sulphonic acid supplier

Name
phenylmethanesulfonic acid
EINECS
CAS No. 57267-76-2
Article Data10
CAS DataBase
Density 1.385 g/cm³
Solubility
Melting Point
Formula C₇H₈O₃S
Boiling Point
Molecular Weight 194.187
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenemethanesulfonic acid;Phenylmethanesulfonic acid;
PSA 62.75000
LogP 2.15520

Toluene-alpha-sulphonic acid Specification

The Toluene-alpha-sulphonic acid, with the CAS registry number 57267-76-2, is also known as Benzenemethanesulfonic acid. This chemical's molecular formula is C₇H₈O₃S and molecular weight is 172.20. What's more, its systematic name is Phenylmethanesulfonic acid.

Physical properties of Toluene-alpha-sulphonic acid are: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.51; (4)ACD/LogD (pH 7.4): -3.61; (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: 1.586; (14)Molar Refractivity: 41.73 cm³; (15)Molar Volume: 124.2 cm³; (16)Polarizability: 16.54×10^-24 cm³; (17)Surface Tension: 58.6 dyne/cm; (18)Density: 1.385 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)Cc1ccccc1
(2)InChI: InChI=1/C7H8O3S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,8,9,10)
(3)InChIKey: NIXKBAZVOQAHGC-UHFFFAOYAZ

Product Name

phenylmethanesulfonic acid

Toluene-alpha-sulphonic acid Specification

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