2-Chloro-4-pyridinecarboxaldehyde - CAS 101066-61-9

Name: 2-Chloro-4-pyridinecarboxaldehyde
Brand: BOC Sciences
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Catalog:	BB000428
Product Name:	2-Chloro-4-pyridinecarboxaldehyde
CAS:	101066-61-9
Synonyms:	2-chloropyridine-4-carbaldehyde

Technical Data

IUPAC Name:	2-chloropyridine-4-carbaldehyde
Description:	2-Chloro-4-pyridinecarboxaldehyde (CAS# 101066-61-9) is a reagent used in the chemoenzymic synthesis of α-fluoro β-hydroxy carboxylic esters. It is also a reagent in the combinatorial synthesis of methylene sulfonamides and related compounds as potential kinase inhibitors.
Molecular Weight:	141.56
Molecular Formula:	C6H4ClNO
Canonical SMILES:	C1=CN=C(C=C1C=O)Cl
InChI:	InChI=1S/C6H4ClNO/c7-6-3-5(4-9)1-2-8-6/h1-4H
InChI Key:	UFPOSTQMFOYHJI-UHFFFAOYSA-N
Boiling Point:	243.4 °C at 760 mmHg
Purity:	97.0 %
Density:	1.332 g/cm³
Appearance:	White crystalline powder
MDL:	MFCD06651557
LogP:	1.54750

GHS Hazard Statement:	H302 (88.64%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	107
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.9981414
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	140.9981414
Rotatable Bond Count:	1
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3