| Identification | Back Directory | [Name]
4-CYANO-3-TETRAHYDROTHIOPHENONE | [CAS]
16563-14-7 | [Synonyms]
Nsc298357
Cyanotetrahydrothiophenone
4-oxothiolane-3-carbonitrile
4-Cyanotetrahydro-3-thiophenone
4-CYANO-3-TETRAHYDROTHIOPHENONE
4-CYANO-3-OXOTETRAHYDROTHIOPHENE
4-CYANO-3-TETRAHYDROTHIOPHENONE 98+%
3-Oxotetrahydrothiophene-4-carbonitrile
4-OXOTETRAHYDROTHIOPHENE-3-CARBONITRILE | [Molecular Formula]
C5H5NOS | [MDL Number]
MFCD00059049 | [MOL File]
16563-14-7.mol | [Molecular Weight]
127.16 |
| Chemical Properties | Back Directory | [Melting point ]
71 °C | [Boiling point ]
125 °C / 1mmHg | [density ]
1.29 | [storage temp. ]
2-8°C(protect from light) | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
10.161±0.20(predicted) | [color ]
White to Light yellow | [InChI]
1S/C5H5NOS/c6-1-4-2-8-3-5(4)7/h4H,2-3H2 | [InChIKey]
OHPSBDAUCJNDHP-UHFFFAOYSA-N | [SMILES]
O=C1CSCC1C#N | [CAS DataBase Reference]
16563-14-7 |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
22-36/37/38 | [Safety Statements ]
26 | [WGK Germany ]
3 | [HS Code ]
2934.99.9001 | [HazardClass ]
IRRITANT | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Uses]
4-CYANO-3-TETRAHYDROTHIOPHENONE is used as a precursor for α-substituted acrylonitriles, 2-cyano-1,3-butadiene, and substituted thiophenes; building block for thienobenzodiazepines.
| [Preparation]
4-Cyano-3-tetrahydrothiophenone can be conveniently prepared in 50% yield by cyclization of the Michael adduct of methyl thioglycolate and acrylonitrile.
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| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Sigma-Aldrich
|
| Telephone: |
021-61415566 800-8193336 |
| Website: |
https://www.sigmaaldrich.cn |
|