4-Cyano-3-tetrahydrothiophenone - 98%, high purity , CAS No.16563-14-7

Item Number

C123550

Grouped product items
SKU	Size	Availability	Price	Qty
C123550-250mg	250mg	3	$13.90	+-
C123550-1g	1g	7	$40.90	+-
C123550-5g	5g	5	$153.90	+-
C123550-25g	25g	2	$591.90	+-

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Basic Description

Synonyms	P10054 \| 4-Oxotetrahydrothiophene-3-carbonitrile, 97% \| DTXSID70315991 \| SCHEMBL1290095 \| AS-50382 \| 1-Hexylsulfonylchloride \| NSC298357 \| NSC-298357 \| A3673 \| STK526039 \| 4-Cyano-3-oxotetrahydrothiophene \| Thiophene-3-carbonitrile, tetrahydro-4-oxo- \| AK
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
Shipped In	Wet ice

Names and Identifiers

Pubchem Sid	488189511
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488189511
IUPAC Name	4-oxothiolane-3-carbonitrile
INCHI	InChI=1S/C5H5NOS/c6-1-4-2-8-3-5(4)7/h4H,2-3H2
InChi Key	OHPSBDAUCJNDHP-UHFFFAOYSA-N
Canonical SMILES	C1C(C(=O)CS1)C#N
Isomeric SMILES	C1C(C(=O)CS1)C#N
WGK Germany	3
PubChem CID	326676
Molecular Weight	127.16
Reaxy-Rn	1423405

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
F2316334	Certificate of Analysis	May 22, 2023	C123550
F2316338	Certificate of Analysis	May 22, 2023	C123550
F2316378	Certificate of Analysis	May 22, 2023	C123550
F2316380	Certificate of Analysis	May 22, 2023	C123550
F2316383	Certificate of Analysis	May 22, 2023	C123550
F2316385	Certificate of Analysis	May 22, 2023	C123550
F2316389	Certificate of Analysis	May 22, 2023	C123550
F2316390	Certificate of Analysis	May 22, 2023	C123550

Chemical and Physical Properties

Solubility	Soluble in Methanol
Sensitivity	Air Sensitive；Light sensitive
Boil Point(°C)	125°C/1mmHg
Melt Point(°C)	71 °C
Molecular Weight	127.170 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	127.009 Da
Monoisotopic Mass	127.009 Da
Topological Polar Surface Area	66.200 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	157.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Safety and Hazards(GHS)

Pictogram(s)	GHS07
Signal	Warning
Hazard Statements	H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H302:Harmful if swallowed
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P317:IF SWALLOWED: Get medical help. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell.
WGK Germany	3
Reaxy-Rn	1423405

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Basic Description