3-Bromo-5-(chloromethyl)pyridine Hydrochloride - CAS 39741-46-3

Catalog:	BB024117
Product Name:	3-Bromo-5-(chloromethyl)pyridine Hydrochloride
CAS:	39741-46-3
Synonyms:	3-bromo-5-(chloromethyl)pyridine;hydrochloride; 3-bromo-5-(chloromethyl)pyridine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	3-bromo-5-(chloromethyl)pyridine;hydrochloride
Description:	3-Bromo-5-(chloromethyl)pyridine Hydrochloride (CAS# 39741-46-3) is a useful research chemical.
Molecular Weight:	242.93
Molecular Formula:	C6H6BrCl2N
Canonical SMILES:	C1=C(C=NC=C1Br)CCl.Cl
InChI:	InChI=1S/C6H5BrClN.ClH/c7-6-1-5(2-8)3-9-4-6;/h1,3-4H,2H2;1H
InChI Key:	CJAUTVHMRSAZGG-UHFFFAOYSA-N
Boiling Point:	298.3 °C at 760 mmHg
LogP:	3.38490

Publication Number	Title	Priority Date
WO-2021081211-A1	Mettl3 modulators	20191025
CN-112010804-A	Triaryl compound and preparation method and pharmaceutical application thereof	20190531
EP-3591387-A1	Method for identifying molecular structure	20170301
JP-WO2018159692-A1	Identification method of molecular structure	20170301
US-2020096461-A1	Method for identifying molecular structure	20170301

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	89.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.90607
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	240.90607
Rotatable Bond Count:	1
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0