Phenyl chlorothionoformate, 98+%

Description

CAS: 1005-56-7 | C7H5ClOS | 172.63 g/mol

Phenyl chlorothionoformate has been used in stereo directed synthesis of optically active, (-)-mintlactone, synthesis of peptide α-thioesters having a variety of C-terminal amino acids, synthesis of scyllo-inositol derivatives, thionocarbonylation of unprotected thymine nucleosides, preparation of phenoxythiocarbonyl esters of protected ribonucleosides. It is also used as a reagent in the thionocarbonylation of unprotected thymine nucleosides. It forms phenoxythiocarbonyl esters of protected ribonucleosides which can be reduced by tributyltin hydride to deoxyribonucleosides.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
Phenyl chlorothionoformate has been used in stereo directed synthesis of optically active, (-)-mintlactone, synthesis of peptide α-thioesters having a variety of C-terminal amino acids, synthesis of scyllo-inositol derivatives, thionocarbonylation of unprotected thymine nucleosides, preparation of phenoxythiocarbonyl esters of protected ribonucleosides. It is also used as a reagent in the thionocarbonylation of unprotected thymine nucleosides. It forms phenoxythiocarbonyl esters of protected ribonucleosides which can be reduced by tributyltin hydride to deoxyribonucleosides.

Solubility
Soluble in water.

Notes
Moisture, Heat Sensitive. Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Keep away from oxidizing agents. Stable under recommended storage conditions.

Specifications

Chemical Identifiers

• CAS: 1005-56-7
• Molecular Formula: C7H5ClOS
• Molecular Weight (g/mol): 172.63
• MDL Number: MFCD00004920
• InChI Key: KOSYAAIZOGNATQ-UHFFFAOYSA-N
• Synonym: o-phenyl carbonochloridothioate, phenyl chlorothionoformate, o-phenyl chlorothioformate, phenyl chlorothioformate, phenyl thioxochloroformate, phenyl chlorothionocarbonate, phenoxythiocarbonyl chloride, chlorothioformic acid phenyl ester, o-phenyl chlorothionoformate, o-phenyl chlorothiocarbonate
• PubChem CID: 70498
• SMILES: ClC(=S)OC1=CC=CC=C1

• Density: 1.248
• Boiling Point: 81°C to 83°C (6 mmHg)
• Flash Point: 81°C (177°F)
• Odor: Acrid
• Refractive Index: 1.5804
• Quantity: 1 g
• UN Number: UN3265
• Beilstein: 774830
• Sensitivity: Moisture sensitive
• Solubility Information: Soluble in water.
• IUPAC Name: phenyl chloromethanethioate
• Formula Weight: 172.63
• Percent Purity: ≥98%
• Chemical Name or Material: Phenyl chlorothionoformate

Safety and Handling

Hazard Category	H227-H314
Hazard Statement	GHS H Statement H314-H318-H227 Causes severe skin burns and eye damage. Causes serious eye damage. Combustible liquid.
Precautionary Statement	P210-P260-P264b-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P370+P378q-P501c
DOTInformation	Transport Hazard Class: 8; Packing Group: II; Proper Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
EINECSNumber	213-736-4
TSCA	No
Recommended Storage	Keep cold; Store under Nitrogen

SDS

RUO – Research Use Only