5-Bromo-2-nitrobenzaldehyde - CAS 20357-20-4

Name: 5-Bromo-2-nitrobenzaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB015826
Product Name:	5-Bromo-2-nitrobenzaldehyde
CAS:	20357-20-4
Synonyms:	5-bromo-2-nitrobenzaldehyde; 5-bromo-2-nitrobenzaldehyde

Technical Data

IUPAC Name:	5-bromo-2-nitrobenzaldehyde
Description:	5-Bromo-2-nitrobenzaldehyde (CAS# 20357-20-4) is a cholesteryl ester transfer protein (CETP) inhibitor. 2-Bromo-5-nitrobenzaldehyde is a commonly used reactant for the synthesis of (-)-Linarinic acid derivatives as neuroprotective agents against oxygen glucose deprivation (OGD)-induced cell damage.
Molecular Weight:	230.02
Molecular Formula:	C7H4BrNO3
Canonical SMILES:	C1=CC(=C(C=C1Br)C=O)[N+](=O)[O-]
InChI:	InChI=1S/C7H4BrNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-4H
InChI Key:	UFRVBZVJVRHSNR-UHFFFAOYSA-N
Boiling Point:	330.5 °C at 760 mmHg
Density:	1.781 g/cm³
MDL:	MFCD00456508
LogP:	2.69300

GHS Hazard Statement:	H302 (25%): 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

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WO-2021139775-A1	Pyridone compound and application	20200110
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Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.93746
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	228.93746
Rotatable Bond Count:	1
Topological Polar Surface Area:	62.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4