3-(Chloromethyl)-5-methylpyridine Hydrochloride - CAS 1007089-84-0
Catalog: |
BB000304 |
Product Name: |
3-(Chloromethyl)-5-methylpyridine Hydrochloride |
CAS: |
1007089-84-0 |
Synonyms: |
3-(chloromethyl)-5-methylpyridine;hydrochloride; 3-(chloromethyl)-5-methylpyridine;hydrochloride |
IUPAC Name: | 3-(chloromethyl)-5-methylpyridine;hydrochloride |
Description: | 3-(Chloromethyl)-5-methylpyridine Hydrochloride (CAS# 1007089-84-0) is an intermediate in the synthesis of Rupatadine (R701650). |
Molecular Weight: | 178.06 |
Molecular Formula: | C7H9Cl2N |
Canonical SMILES: | CC1=CC(=CN=C1)CCl.Cl |
InChI: | InChI=1S/C7H8ClN.ClH/c1-6-2-7(3-8)5-9-4-6;/h2,4-5H,3H2,1H3;1H |
InChI Key: | NCAHREJYXFDWGE-UHFFFAOYSA-N |
Boiling Point: | 232.233 °C at 760 mmHg |
Density: | 1.118 g/cm3 |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 2.12880 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113121420-A | Preparation method of rupatadine fumarate intermediate 5-methyl-3-chloromethyl pyridine hydrochloride | 20210519 |
CN-112903859-A | Detection method of rupatadine fumarate related substances | 20210125 |
WO-2020249785-A1 | Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators | 20190614 |
US-2021017169-A1 | Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators | 20190614 |
WO-2020247804-A1 | Heterocycle substituted pyridine derivative antifungal agents | 20190607 |
Complexity: | 85 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.0112047 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.0112047 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Pyridines
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