2-Chloro-4-(chloromethyl)pyridine - CAS 101990-73-2

Catalog:	BB000723
Product Name:	2-Chloro-4-(chloromethyl)pyridine
CAS:	101990-73-2
Synonyms:	2-chloro-4-(chloromethyl)pyridine; 2-chloro-4-(chloromethyl)pyridine

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-4-(chloromethyl)pyridine
Description:	2-Chloro-4-(chloromethyl)pyridine (CAS# 101990-73-2) is a useful research chemical.
Molecular Weight:	162.02
Molecular Formula:	C6H5Cl2N
Canonical SMILES:	C1=CN=C(C=C1CCl)Cl
InChI:	InChI=1S/C6H5Cl2N/c7-4-5-1-2-9-6(8)3-5/h1-3H,4H2
InChI Key:	QELZCGMVHLQNSO-UHFFFAOYSA-N
Boiling Point:	234 °C at 760 mmHg
Density:	1.324 g/cm³
Appearance:	Colorless to yellow liquid
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD09991655
LogP:	2.47380

Publication Number	Title	Priority Date
CN-111269215-A	Nitrogen-containing heterocyclic organic compound and preparation method and application thereof	20200401
WO-2021194914-A1	Substituted oxoisoindoline compounds for the treatment of cancer	20200323
US-2021147383-A1	Compounds useful as inhibitors of helios protein	20191119
WO-2021101919-A1	Compounds useful as inhibitors of helios protein	20191119
WO-2020247804-A1	Heterocycle substituted pyridine derivative antifungal agents	20190607

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	87.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.9799046
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	160.9799046
Rotatable Bond Count:	1
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2