2-Bromo-3-pyridinecarboxaldehyde - CAS 128071-75-0

Name: 2-Bromo-3-pyridinecarboxaldehyde
Brand: BOC Sciences
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Catalog:	BB006861
Product Name:	2-Bromo-3-pyridinecarboxaldehyde
CAS:	128071-75-0
Synonyms:	2-bromopyridine-3-carbaldehyde

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Computed Properties

IUPAC Name:	2-bromopyridine-3-carbaldehyde
Description:	2-Bromo-3-pyridinecarboxaldehyde (CAS# 128071-75-0) is a useful research chemical.
Molecular Weight:	186.01
Molecular Formula:	C6H4BrNO
Canonical SMILES:	C1=CC(=C(N=C1)Br)C=O
InChI:	InChI=1S/C6H4BrNO/c7-6-5(4-9)2-1-3-8-6/h1-4H
InChI Key:	GNFWMEFWZWXLIN-UHFFFAOYSA-N
Boiling Point:	100 °C / 3 mmHg
Melting Point:	73 °C
Purity:	> 98.0 % (GC)
Density:	1.683 g/cm³
Appearance:	White to orange solid
Storage:	Keep in dark place, Sealed in dry, Room Temperature
MDL:	MFCD04966945
LogP:	1.65660

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]C11H21ClO
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[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]C14H16N2O4
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[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

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GHS Hazard Statement:	H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, and P501
Signal Word:	Warning

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WO-2020219589-A1	Pharmaceutical compounds and therapeutic methods	20190423
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WO-2020051689-A1	Compounds and methods for treating nematode infections	20180912

Complexity:	107
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.94763
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	184.94763
Rotatable Bond Count:	1
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3