| CAS Number | 1609396-24-8 |
| Catalog Number | AG001VI3(AGN-PC-0WAH62) |
| Chemical Name | 2-(Chloromethyl)isonicotinonitrile hydrochloride |
| IUPAC Name | 2-(chloromethyl)pyridine-4-carbonitrile;hydrochloride |
| InChI | InChI=1S/C7H5ClN2.ClH/c8-4-7-3-6(5-9)1-2-10-7;/h1-3H,4H2;1H |
| InChI Key | YKPHPACYEATAOH-UHFFFAOYSA-N |
| MDL Number | MFCD28024788 |
| Molecular Formula | C7H6Cl2N2 |
| Molecular Weight | 189.0419 |
| SMILES | N#CC1C=CN=C(CCl)C=1.Cl |
| Synonyms | 2-(Chloromethyl)isonicotinonitrile hydrochloride,
1609396-24-8,
KS-00000SHR,
ZX-CM010554,
MFCD28024788,
2-(Chloromethyl)isonicotinonitrile HCl,
AKOS024464266,
AK159084,
AX8292568,
ST24039618,
2-(chloromethyl)pyridine-4-carbonitrile;hydrochloride,
4-Pyridinecarbonitrile, 2-(chloromethyl)-, hydrochloride (1:1),
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.039g/mol |
| Monoisotopic Mass | 187.991g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number