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3,5-Di-tert-butylbenzyl bromide

3,5-Di-tert-butylbenzyl bromide - CAS 62938-08-3

Name: 3,5-Di-tert-butylbenzyl bromide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB031891
Product Name:	3,5-Di-tert-butylbenzyl bromide
CAS:	62938-08-3
Synonyms:	1-(bromomethyl)-3,5-ditert-butylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1-(bromomethyl)-3,5-ditert-butylbenzene
Description:	3,5-Di-tert-butylbenzyl bromide (CAS# 62938-08-3) is a useful research chemical.
Molecular Weight:	283.25
Molecular Formula:	C15H23Br
Canonical SMILES:	CC(C)(C)C1=CC(=CC(=C1)CBr)C(C)(C)C
InChI:	InChI=1S/C15H23Br/c1-14(2,3)12-7-11(10-16)8-13(9-12)15(4,5)6/h7-9H,10H2,1-6H3
InChI Key:	SNRYBGHMHAJTTM-UHFFFAOYSA-N
Boiling Point:	279.7 °C at 760 mmHg
Purity:	95 %
Density:	1.122 g/cm³
Storage:	Refrigerator
MDL:	MFCD03701623
LogP:	5.17650

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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

Publication Number	Title	Priority Date
US-2021220807-A1	Molecular sieve ssz-116, its synthesis and use	20200116
CN-110872232-A	Phase transfer catalyzed Î² -keto ester asymmetric Î± -difluoromethylation method	20191108
US-10577308-B2	Sodium channel modulators	20150326
US-2018072656-A1	Sodium Channel Modulators	20150326
JP-2018507270-A	Multifunctional cooperative polymer antioxidant stabilizer and its preparation method and application	20141215

PMID	Publication Date	Title	Journal
21210034	20110221	One-pot synthesis of donor-acceptor [2]rotaxanes based on cryptand-paraquat recognition motif	Organic & biomolecular chemistry
16435853	20060202	[3]Pseudorotaxane-like complexes formed between bipyridinium dications and bis-p-xylyl[26]crown-6	Organic letters

Complexity:	197
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	282.09831
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	282.09831
Rotatable Bond Count:	3
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.8