(2S)-2-Oxiranylmethyl 3-nitrobenzenesulfonate

Basic Information

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CAS Number

115314-14-2

Molecular Formula

C9H9NO6S

Molecular Weight

259.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

63.0 to 66.0 deg-C

Boiling Point

432.2°C at 760 mmHg

Flash Point

215.2ºC

Solubility

Soluble in chloroform, methylene chloride and tetrahydrofuran. Insoluble in hexane.

Refractive Index

1.5270 (estimate)

Specific Rotation

21.5 º (c=2, CHCl3)

SMILES

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C1C(O1)COS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C9H9NO6S/c11-10(12)7-2-1-3-9(4-7)17(13,14)16-6-8-5-15-8/h1-4,8H,5-6H2/t8-/m0/s1

InChIKey

AIHIHVZYAAMDPM-QMMMGPOBSA-N

LogP

2.30290

Complexity

383

Safety Information

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GHS Hazard Pictograms

H228

H315

H319

H341

Hazard Statement

H228 Flammable solid
Flammable solids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H341 Suspected of causing genetic defects
Germ cell mutagenicity

Hazard Class

Class 4.1 Class 4.1

Sensitiveness

Moisture Sensitive

Synonyms & References

English

MFCD00064582
(2S)-2-oxiranylmethyl 3-nitrobenzenesulfonate
[(2S)-oxiran-2-yl]methyl 3-nitrobenzene-1-sulfonate
Z2941217406
Benzenesulfonic acid, 3-nitro-, (2S)-2-oxiranylmethyl ester
UNII-TH53HZU4D9
3-Nitrobenzenesulfonic Acid (S)-Glycidyl Ester
(2S)-oxiran-2-ylmethyl3-nitrobenzenesulfonate
(S)-(+)-Glycidyl 3-nitrobenzenesulfonate
(S)-(+)-Glycidyl 3-nitrobenzenesulfonate, >=99.0% (GC)
[(2S)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate
(S)-(+)-3-Nitrobenzenesulfonic acid glycidyl ester
115314-14-2
(S)-glycidyl m-nitrobenzenesulfonate
AC-18291
AS-33338
(s)-(+)-3-nitro-benzenesulfonic acid oxiranylmethyl ester
(S)-GLYCIDYL-3-NITROBENZENE-SULFONATE
Benzenesulfonic acid, 3-nitro-, oxiranylmethyl ester, (S)-
(2S)-(+)-Glycidyl 3-nitrobenzenesulfonate
BRN 4704456
(2S)-(+)-glycidyl 3-nitrobenzene sulfonate
(S)-Glycidyl-3-nitrobenzenesulphonate
Glycidyl 3-nitrobenzenesulfonate
(2S)-(+)glycidyl 3-nitrobenzenesulfonate
Glycidyl (S)-(+)-3-nitrobenzenesulfonate
(s)-(oxiran-2-yl)methyl 3-nitrobenzenesulfonate
J-502515
(S)-Oxiran-2-ylmethyl 3-nitrobenzenesulfonate
(S)-Oxiran-2-ylmethyl3-nitrobenzenesulfonate
NS00120088

MDL Number

MFCD00064582

FAQ

What are the physical and chemical properties of (2S)-2-Oxiranylmethyl 3-nitrobenzenesulfonate (CAS: 115314-14-2)?

(2S)-2-Oxiranylmethyl 3-nitrobenzenesulfonate is a white, crystalline solid with a molecular weight of approximately 282.11 g/mol. It is slightly soluble in water and highly soluble in organic solvents such as ethanol and methanol. Chemically, it is reactive towards nucleophiles, particularly towards amines, which can lead to the formation of amides in a substitution reaction.

How is (2S)-2-Oxiranylmethyl 3-nitrobenzenesulfonate (CAS: 115314-14-2) typically synthesized?

(2S)-2-Oxiranylmethyl 3-nitrobenzenesulfonate is typically synthesized via the reaction of 3-nitrobenzenesulfonyl chloride with 2-methyl-1-oxirane in the presence of a base such as triethylamine. The reaction is carried out in an organic solvent like dichloromethane, and the product can be isolated by filtration and recrystallization.

What industries use (2S)-2-Oxiranylmethyl 3-nitrobenzenesulfonate (CAS: 115314-14-2)?

(2S)-2-Oxiranylmethyl 3-nitrobenzenesulfonate finds applications in the pharmaceutical industry for the synthesis of bioactive molecules, in the polymer industry for the modification of polymer properties, and in the sensor and semiconductor industries for the development of sensitive detection methods and electronic components.

What precautions should be taken when handling (2S)-2-Oxiranylmethyl 3-nitrobenzenesulfonate (CAS: 115314-14-2)?

When handling (2S)-2-Oxiranylmethyl 3-nitrobenzenesulfonate, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handle in a well-ventilated area or a fume hood to avoid inhalation of vapors. Spills should be cleaned up with caution using appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.