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Safety Information

930059

Sigma-Aldrich

S-Phenyl methanethioate

Synonym(s):

Phenyl thioCORMate, Phenyl thioformate

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About This Item

Empirical Formula (Hill Notation):
C7H6OS
CAS Number:
27064-03-5
Molecular Weight:
138.19
MDL number:
MFCD32756471
UNSPSC Code:
12352101
NACRES:
NA.06

form

liquid

Quality Level

100

refractive index

n/D 1.586

density

1.134 g/mL

functional group

thioether

storage temp.

−20°C

SMILES string

[H]C(SC1=CC=CC=C1)=O

InChI

1S/C7H6OS/c8-6-9-7-4-2-1-3-5-7/h1-6H

InChI key

ITJOOMDVHPTIRB-UHFFFAOYSA-N

Application

S-phenyl methanethioate is an effective CO releasing molecule (CORM) developed by the lab of Sarah Tasker as part of a series of thioformate based CORMs called thioCORMates. p-NO2 phenyl thioformate generates CO over the course of several minutes to allow for on-demand generation of CO for variety of reactions.

This and the other thioCORMates are cost effective CORMs that when activated with simple amines, can be used to generate a near quantitative amount of CO safely without the usage of gas cylinders. These are compatible with a variety of carbonylation reactions, as well as existing COware glassware and components.

ThioCORMate: Tunable and Cost-Effective Carbon Monoxide-Releasing Molecule

Learn more about CO releasing molecules from Prof. Skrydstrup

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

221.0 °F

Flash Point(C)

105 °C

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

930059-VAR:
930059-BULK:
930059-1G:

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