2-Bromo-6-nitrobenzyl Bromide - CAS 58579-54-7

Name: 2-Bromo-6-nitrobenzyl Bromide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB030089
Product Name:	2-Bromo-6-nitrobenzyl Bromide
CAS:	58579-54-7
Synonyms:	1-bromo-2-(bromomethyl)-3-nitrobenzene; 1-bromo-2-(bromomethyl)-3-nitrobenzene

Technical Data

IUPAC Name:	1-bromo-2-(bromomethyl)-3-nitrobenzene
Description:	2-Bromo-6-nitrobenzyl Bromide was used in preparation and reaction with triphenylphosphine for synthesis of 3- and 4-substituted indoles.2-Bromo-6-nitrobenzyl Bromide was a reagent in preparation of synthesis of acid photogenerators for lithographic resist applications.
Molecular Weight:	294.93
Molecular Formula:	C7H5Br2NO2
Canonical SMILES:	C1=CC(=C(C(=C1)Br)CBr)[N+](=O)[O-]
InChI:	InChI=1S/C7H5Br2NO2/c8-4-5-6(9)2-1-3-7(5)10(11)12/h1-3H,4H2
InChI Key:	JCBTXEUYUWGIMU-UHFFFAOYSA-N
LogP:	3.77540

GHS Hazard Statement:	H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

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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