2-Bromo-5-nitrobenzaldehyde - CAS 84459-32-5

Catalog:	BB037200
Product Name:	2-Bromo-5-nitrobenzaldehyde
CAS:	84459-32-5
Synonyms:	2-bromo-5-nitrobenzaldehyde; 2-bromo-5-nitrobenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-5-nitrobenzaldehyde
Description:	2-Bromo-5-nitrobenzaldehyde (CAS# 84459-32-5) is a useful research chemical.
Molecular Weight:	230.02
Molecular Formula:	C7H4BrNO3
Canonical SMILES:	C1=CC(=C(C=C1[N+](=O)[O-])C=O)Br
InChI:	InChI=1S/C7H4BrNO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-4H
InChI Key:	LJASZNNBVOTAAN-UHFFFAOYSA-N
Boiling Point:	307.174 °C at 760 mmHg
Density:	1.781 g/cm³
MDL:	MFCD00462865
LogP:	2.69300

Publication Number	Title	Priority Date
CN-113214318-A	(3- (1H-1,2, 3-triazole) phenyl) phosphoric acid derivative and preparation method and application thereof	20210514
WO-2021127561-A1	Isoindolinone and indazole compounds for the degradation of egfr	20191220
WO-2021014415-A2	Small molecule inhibitors of acetyl coenzyme a synthetase short chain 2 (acss2)	20190725
WO-2021011796-A1	Inhibitors of cyclin-dependent kinases	20190717
CN-109867645-A	A kind of synthetic method of 2,2- bis- fluoro- 2,3- dihydro substitution benzofuran compounds	20171205

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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+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

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:	1.9