| CAS Number | 127667-02-1 |
| Catalog Number | AG000X9C(AGN-PC-0WCQZJ) |
| Chemical Name | 2-Chlorothiophene-3-carbonitrile |
| IUPAC Name | 2-chlorothiophene-3-carbonitrile |
| InChI | InChI=1S/C5H2ClNS/c6-5-4(3-7)1-2-8-5/h1-2H |
| InChI Key | QHEASGMGAALVJB-UHFFFAOYSA-N |
| MDL Number | MFCD24682801 |
| Molecular Formula | C5H2ClNS |
| Molecular Weight | 143.5941 |
| SMILES | ClC1=C(C#N)C=CS1 |
| Synonyms | 2-chlorothiophene-3-carbonitrile,
127667-02-1,
3-Thiophenecarbonitrile, 2-chloro-,
2-chloro-3-cyanothiophene,
SCHEMBL849487,
DTXSID70563258,
QC-729,
ZINC34349375,
AKOS022176206,
AJ-88093,
|
| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.588g/mol |
| Monoisotopic Mass | 142.96g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number