| CAS Number | 1222556-83-3 |
| Catalog Number | AG00170A(AGN-PC-0WAJ0N) |
| Chemical Name | Pyridine, 3-(chloromethyl)-5-fluoro-, hydrochloride (1:1) |
| IUPAC Name | 3-(chloromethyl)-5-fluoropyridine;hydrochloride |
| InChI | InChI=1S/C6H5ClFN.ClH/c7-2-5-1-6(8)4-9-3-5;/h1,3-4H,2H2;1H |
| InChI Key | PFOZTYJEKXOWQS-UHFFFAOYSA-N |
| MDL Number | MFCD19687170 |
| Molecular Formula | C6H6Cl2FN |
| Molecular Weight | 182.0229 |
| SMILES | FC1=CN=CC(CCl)=C1.[H]Cl |
| Synonyms | 3-(Chloromethyl)-5-fluoropyridine hydrochloride,
1222556-83-3,
3-(Chloromethyl)-5-fluoropyridine HCl,
SCHEMBL2304179,
PFOZTYJEKXOWQS-UHFFFAOYSA-N,
MFCD19687170,
AKOS025291307,
PB35002,
SB21650,
KS-000008C9,
AS-43162,
CS-0051703,
Q-1876,
3-(Chloromethyl)-5-fluoro-pyridine hydrochloride,
Pyridine, 3-(chloromethyl)-5-fluoro-, hydrochloride (1:1),
39891-37-7,
|
| Complexity | 89.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.019g/mol |
| Monoisotopic Mass | 180.986g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
8
|
|
Hazard statements
|
H302-H315-H318-H335
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
|
|
UN Code
|
UN 3261
|
Certificate of Analysis
Lot Number