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2386-57-4

Basic Information
CAS No.: 2386-57-4
Name: SODIUM METHANESULFONATE
Article Data: 47
Molecular Structure:
Molecular Structure of 2386-57-4 (SODIUM METHANESULFONATE)
Formula: CH4NaO3S
Molecular Weight: 118.089
Synonyms: Sodium mesylate;Methanesulfonicacid, sodium salt (8CI,9CI);
EINECS: 219-203-2
Density: 1,481g/cm
Melting Point: 17-19C
Boiling Point: 167C
Solubility: Soluble in water, alcohol, ether, hexane, benzene, methylcyclopentane, toluene, o-chlorotoluene and ethyl disulfide.
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 65.58000
LogP: 0.24220
Synthetic route
80653-56-1

N,N-dimethylsulfonyl-O-methylhydroxylamine

A

2386-57-4

methanesulfonic acid sodium salt

B

80653-53-8

N-(methoxy)methanesulfonamide

Conditions
ConditionsYield
With sodium hydroxide In water Product distribution; Mechanism; Heating; hydrolysis with basic, neutral and acidic aqu. solutions;A n/a
B 98%
124-63-0

methanesulfonyl chloride

2386-57-4

methanesulfonic acid sodium salt

Conditions
ConditionsYield
With sodium hydrogencarbonate; sodium sulfite In water at 20℃; for 2.25h;93%
With sodium hydroxide In 1,4-dioxane; water at 25℃; Rate constant;
16562-77-9

sodium 2-oxopropane-1-sulfonate

A

127-09-3

sodium acetate

B

2386-57-4

methanesulfonic acid sodium salt

Conditions
ConditionsYield
With sodium hydroxide In water for 6h; Heating;A 84%
B 32%
138373-01-0

phenyl methylsulfonyldichloromethanesulfonate

A

2386-57-4

methanesulfonic acid sodium salt

B

138373-04-3

phenyl dichloromethanesulfonate

C

138373-05-4

phenyl trichloromethanesulfonate

D

138373-02-1

Chloro-methanesulfonyl-methanesulfonic acid phenyl ester

E

138373-03-2

1-Chloro-1-methanesulfonyl-ethanesulfonic acid phenyl ester

Conditions
ConditionsYield
With sodium methylate In methanol for 24h; Product distribution; Ambient temperature;A n/a
B 15%
C 33%
D 12%
E 23%
16156-52-8

n-octyl methanesulfonate

A

2386-57-4

methanesulfonic acid sodium salt

B

7438-05-3

1-azidooctane

Conditions
ConditionsYield
With sodium azide; (C8H17)4N(1+)*N3(1-) In water; chlorobenzene at 35℃; Rate constant; other solvents;
532-32-1

sodium benzoate

924-80-1

2-octyl mesylate

A

6938-51-8

2-octyl benzoate

B

2386-57-4

methanesulfonic acid sodium salt

Conditions
ConditionsYield
With water In dimethylsulfoxide-d6 at 65℃; Rate constant;
924-80-1

2-octyl mesylate

127-09-3

sodium acetate

A

74112-36-0, 2051-50-5

2-Octyl acetate

B

2386-57-4

methanesulfonic acid sodium salt

Conditions
ConditionsYield
With water In dimethylsulfoxide-d6 at 65℃; Rate constant; Product distribution; Mechanism; var. H2O conc.; other alkali metal carboxylates and alkyl mesylates; var. solvents;
10307-28-5

1-octanesulfonic acid methyl ester

540-72-7

sodium thiocyanide

A

19942-78-0

octyl thiocyanate

B

2386-57-4

methanesulfonic acid sodium salt

Conditions
ConditionsYield
With PHDB-18-crown-6 In chlorobenzene at 60℃; Rate constant; var. crown ethers;
10307-28-5

1-octanesulfonic acid methyl ester

139-02-6

sodium phenoxide

A

1818-07-1

octyloxybenzene

B

2386-57-4

methanesulfonic acid sodium salt

Conditions
ConditionsYield
With PHDB-18-crown-6 In chlorobenzene at 60℃; Rate constant; var. crown ethers;
10307-28-5

1-octanesulfonic acid methyl ester

114-70-5

sodium phenylacetate

A

2386-57-4

methanesulfonic acid sodium salt

B

122-45-2

phenylacetic acid octyl ester

Conditions
ConditionsYield
With PHDB-18-crown-6 In chlorobenzene at 60℃; Rate constant; var. crown ethers;
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    Specifications CAS No.: 2386-57-4 Other Names: Methanesulfonicacid MF: CH3NaO3S EINECS No.: CH3NaO3S Place of Origin: Henan, China (Mainland) Type: Agrochemical Intermediates, Pharmaceutical Intermediates Purity: 96% Brand Name: TF M

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Specification

The Methanesulfonic acid,sodium salt (1:1), with the CAS registry number 2386-57-4, is also known as Sodium methanesulfonate. It belongs to the product category of Ion-pair Reagents. Its EINECS registry number is 219-203-2. This chemical's molecular formula is CH4NaO3S and molecular weight is 119.09543. Its IUPAC name is called methanesulfonic acid; sodium.

Physical properties of Methanesulfonic acid,sodium salt (1:1): (1)ACD/LogP: -1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.2; (4)ACD/LogD (pH 7.4): -5.39; (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.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CS(=O)(=O)O.[Na]
(2)InChI: InChI=1S/CH4O3S.Na/c1-5(2,3)4;/h1H3,(H,2,3,4)
(3)InChIKey: DWNWZFAKFWMPTI-UHFFFAOYSA-N