Methanesulfonic acid - UltraPureChrom™, for HPLC, ≥99.5%(T) , CAS No.75-75-2

CAS: 75-75-2 Cat. No.: M433628 Formula: CH₄O₃S Molecular Weight: 96.11 Beilstein Registry Number: 1446024 EC Number: 200-898-6

GRADE & PURITY UltraPureChrom™, for HPLC, ≥99.5%(T)

Synonyms

12EH9M7279 | CHEBI:27376 | CCRIS 2783 | EINECS 200-898-6 | NSC 3718 | methansulfonic acid | HSDB 5004 | 03S | METHANESULFONIC ACID [MI] | STL264182 | Q414168 | ammoniummethanesulfonate | MSA | NCGC00258626-01 | CH3SO3H | DL-MALICACIDMONOSODIUMSALT | METHA

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

12EH9M7279 | CHEBI:27376 | CCRIS 2783 | EINECS 200-898-6 | NSC 3718 | methansulfonic acid | HSDB 5004 | 03S | METHANESULFONIC ACID [MI] | STL264182 | Q414168 | ammoniummethanesulfonate | MSA | NCGC00258626-01 | CH3SO3H | DL-MALICACIDMONOSODIUMSALT | METHA

Specifications & Purity

UltraPureChrom™, for HPLC, ≥99.5%(T)

Storage

Room temperature

Shipped In

FedEx DG Service

Grade

for HPLC, UltraPureChrom™

Purity

≥99.5%(T)

Names and Identifiers

Pubchem Sid

508814898

Canonical Smiles

CS(=O)(=O)O

IUPAC Name

methanesulfonic acid

InChIKey

AFVFQIVMOAPDHO-UHFFFAOYSA-N

INCHI

1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)

Isomeric SMILES

CS(=O)(=O)O

WGK Germany

1

RTECS

PB1140000

UN Number

UN 1219

Packing Group

II

Molecular Weight

96.11

Beilstein

1446024

Reaxy-Rn

1446024

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1446024&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids
• Alternative Parents: Sulfonyls Methanesulfonates Alkanesulfonic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Methanesulfonate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
• External Descriptors: one-carbon compound - alkanesulfonic acid

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.481 g/cm3
• Flash Point(°F): 372.2 °F
• Flash Point(°C): 189 °C
• Boil Point(°C): 167°C
• Melt Point(°C): 18 °C
• Molecular Weight: 96.110 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 95.9881 Da
• Monoisotopic Mass: 95.9881 Da
• Topological Polar Surface Area: 62.800 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 92.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1