| CAS Number | 51454-64-9 |
| Catalog Number | AG00DQ25(AGN-PC-0E21S7) |
| Chemical Name | 2-(chloromethyl)isonicotinonitrile |
| IUPAC Name | 2-(chloromethyl)pyridine-4-carbonitrile |
| InChI | InChI=1S/C7H5ClN2/c8-4-7-3-6(5-9)1-2-10-7/h1-3H,4H2 |
| InChI Key | DENUXIGZQGZLCB-UHFFFAOYSA-N |
| MDL Number | MFCD10697594 |
| Molecular Formula | C7H5ClN2 |
| Molecular Weight | 152.5810 |
| SMILES | N#CC1=CC=NC(CCl)=C1 |
| Synonyms | 2-(CHLOROMETHYL)ISONICOTINONITRILE,
51454-64-9,
2-(CHLOROMETHYL)PYRIDINE-4-CARBONITRILE,
SCHEMBL18078827,
MFCD10697594,
ZINC49578146,
AKOS010782143,
AB60015,
4-Pyridinecarbonitrile, 2-(chloromethyl)-,
AJ-111044,
A-6836,
2- ISONICOTINONITRILE,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.581g/mol |
| Monoisotopic Mass | 152.014g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
8
|
|
Hazard statements
|
H302-H312-H332-H335-H314
|
|
Packing Group
|
Ⅱ
|
|
Precautionary statements
|
P260-P264-P270-P271-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501
|
|
UN Code
|
UN 3261
|
Certificate of Analysis
Lot Number