| CAS Number | 1418117-80-2 |
| Catalog Number | AG001H83(AGN-PC-0WA86T) |
| Chemical Name | Pyridine, 3-bromo-4-(chloromethyl)-, hydrochloride (1:1) |
| IUPAC Name | 3-bromo-4-(chloromethyl)pyridine;hydrochloride |
| InChI | InChI=1S/C6H5BrClN.ClH/c7-6-4-9-2-1-5(6)3-8;/h1-2,4H,3H2;1H |
| InChI Key | HVVDOVGTIKBHCI-UHFFFAOYSA-N |
| MDL Number | MFCD22682795 |
| Molecular Formula | C6H6BrCl2N |
| Molecular Weight | 242.9285 |
| SMILES | ClCC1=C(Br)C=NC=C1.[H]Cl |
| Synonyms | 1418117-80-2,
3-Bromo-4-(chloromethyl)pyridine Hydrochloride,
3-BROMO-4-(CHLOROMETHYL)PYRIDINE HCL,
C6H5BrClN.HCl,
SCHEMBL15899396,
5826AJ,
AKOS025404353,
TRA0041601,
KS-00000D47,
AS-32553,
SY021915,
TC-307393,
3-Bromo-4-(chloromethyl)pyridineHydrochloride,
3-bromo-4-(chloromethyl)pyridine;hydrochloride,
Z-4649,
MFCD22682795 (97+%),
Pyridine, 3-bromo-4-(chloromethyl)-, hydrochloride (1:1),
55758-02-6,
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| Complexity | 89.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.90607g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.93g/mol |
| Monoisotopic Mass | 240.90607g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
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Hazard statements
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H315-H318-H335
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Precuationary statements
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P261-P280-P305+P351+P338
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Siginal words
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Certificate of Analysis
Lot Number