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Thioanisole, 99% - CAS 100-68-5 - Formula C7H8S

A14846 100-68-5 Thioanisole, 99% Methyl phenyl sulfide Alfa Aesar


Certificate of Analysis

Thioanisole, 99%

CAS: 100-68-5 MDL: MFCD00008559  EINECS: 202-878-2
UN#:UN1993Hazard Class:3Packing Group:III
Alternate Name: Methyl phenyl sulfide


Pricing and Availability

Size ($) Price Your Price Quantity Options Availability
25g 22.30 Check Availability Add to Favorites Enter qty and click checkbox
100g 36.80 Check Availability Add to Favorites Enter qty and click checkbox
500g 129.00 Check Availability Add to Favorites Enter qty and click checkbox
2500g 543.00 Check Availability Add to Favorites Enter qty and click checkbox

Chemical Properties

Formula: C7H8S  Flash point: 57°(135°F)
Formula weight: 124.21  Density: 1.058
Melting point: -15° Refractive Index: 1.5860
Boiling point: 188-189° 

Literature References

Monolithiation is thought to occur initially on the ring, but rearrangement then gives the more stable phenylthiomethyllithium: J. Org. Chem., 31, 4097 (1966); Tetrahedron Lett., 1961 (1977). Further metallation occurs at the ortho-position. See, e.g.: Tetrahedron, 46, 861 (1990). Demetallation and acylation is the basis of a route to 3-substituted benzo[b]thiophenes: Synthesis, 888 (1988):

Cation scavenger in the acidic deprotection of peptides; see, e.g.: Int. J. Pept. Prot. Res., 36, 255 (1990). See Appendix 6. The combination of the soft nucleophile thioanisole and the hard acid triflic acid has been used for the cleavage of methyl ethers, e.g. O-methyltyrosine, resistant to other methods: J. Chem. Soc., Chem. Commun., 971 (1979). The same conditions have been used for the cleavage of Cbz, Boc, benzyl and 4-methoxybenzyl protecting groups in peptide synthesis: Chem. Pharm. Bull., 28, 1214 (1980); 29, 600 (1981); J. Chem. Soc., Chem. Commun., 101 (1980); see also: Angew. Chem. Int. Ed., 33, 1729 (1994).

Other References

Beilstein: 1904179
UN#: UN1993
Harmonized Tariff Code: 2930.90

GHS Hazard and Precautionary Statements

Hazard Statements : H226-H302-H315-H319-H335

Flammable liquid and vapour. Harmful if swallowed. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.

Precautionary Statements : P261-P280F

Avoid breathing dust/fume/gas/mist/vapours/spray. Wear protective clothing.

FlammableHarmful or Irritant

Risk & Safety

Risk Phrases: 22-36/37/38
Harmful if swallowed. Irritating to eyes, respiratory system and skin.
Safety Phrases: 26-36/37
In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Wear suitable protective clothing and gloves.
RTECS: DA6200000