4-Chlorobenzyl bromide - CAS 622-95-7

Catalog:	BB031511
Product Name:	4-Chlorobenzyl bromide
CAS:	622-95-7
Synonyms:	1-(bromomethyl)-4-chlorobenzene

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Computed Properties

IUPAC Name:	1-(bromomethyl)-4-chlorobenzene
Description:	4-Chlorobenzyl bromide (CAS# 622-95-7) is a useful reagent for the preparation of panicinotam derivatives for use as anti-inflammatory agents or immunomodulators.
Molecular Weight:	205.48
Molecular Formula:	C7H6BrCl
Canonical SMILES:	C1=CC(=CC=C1CBr)Cl
InChI:	InChI=1S/C7H6BrCl/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2
InChI Key:	KQNBRMUBPRGXSL-UHFFFAOYSA-N
Boiling Point:	107-108 ℃ / 8 mmHg
Melting Point:	48-50 ℃
Purity:	95 %
Density:	1.57 g/cm³
Appearance:	White crystalline low melting solid
MDL:	MFCD00040714
LogP:	3.23490

Publication Number	Title	Priority Date
CN-111995567-A	Formamide pyridone iron chelator derivative with potential multi-target anti-AD activity and preparation method and application thereof	20200724
CN-111662299-A	Substituted indolyazepinone compound and preparation method and application thereof	20200710
CN-111620827-A	Novel allyl ether compound containing triazole as well as preparation method and application thereof	20200605
CN-111620827-B	Allyl ether compound containing triazole and preparation method and application thereof	20200605
CN-111518031-A	Hydroxamic acid-containing compound and preparation method and application thereof	20200529

PMID	Publication Date	Title	Journal
21579353	20100508	1-[2-(4-Chloro-benz-yloxy)-2-phenyl-ethyl]-1H-benzotriazole	Acta crystallographica. Section E, Structure reports online
20151677	20100311	Discovery of 4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamides as selective, orally active inhibitors of protein kinase B (Akt)	Journal of medicinal chemistry
17971748	20060928	Synthesis of new N-quaternary-3-benzamidoquinuclidinium salts	Molecules (Basel, Switzerland)

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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:	77
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.93414
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	203.93414
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4