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2-Bromo-4-nitrobenzyl Bromide

2-Bromo-4-nitrobenzyl Bromide - CAS 940-05-6

Catalog:	BB041168
Product Name:	2-Bromo-4-nitrobenzyl Bromide
CAS:	940-05-6
Synonyms:	2-bromo-1-(bromomethyl)-4-nitrobenzene; 2-bromo-1-(bromomethyl)-4-nitrobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-1-(bromomethyl)-4-nitrobenzene
Description:	2-Bromo-4-nitrobenzyl Bromide (CAS# 940-05-6) is a useful research chemical compound.
Molecular Weight:	294.93
Molecular Formula:	C7H5Br2NO2
Canonical SMILES:	C1=CC(=C(C=C1[N+](=O)[O-])Br)CBr
InChI:	InChI=1S/C7H5Br2NO2/c8-4-5-1-2-6(10(11)12)3-7(5)9/h1-3H,4H2
InChI Key:	IHNSPLNYBYYNKQ-UHFFFAOYSA-N
Boiling Point:	348 °C at 760 mmHg
Density:	2.006 g/cm³
MDL:	MFCD11100213
LogP:	3.77540

Publication Number	Title	Priority Date
CN-112608320-A	Piperidine compound and preparation method and medical application thereof	20200116
WO-2021143792-A1	Piperidine compound, preparation method therefor and medical use thereof	20200116
WO-2020214999-A1	Abelson non-tyrosine kinase compounds for the treatment of neurodegenerative diseases	20190417
WO-2008144483-A2	Agents for treating disorders involving modulation of ryanodine receptors	20070518
EP-1844768-A1	Aromatic sulfone compound as aldosterone receptor modulator	20050119

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Related Functional Groups

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	294.86665
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	292.86870
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3