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2,4,6-Trimethylbenzyl Bromide

2,4,6-Trimethylbenzyl Bromide - CAS 4761-00-6

Catalog:	BB026352
Product Name:	2,4,6-Trimethylbenzyl Bromide
CAS:	4761-00-6
Synonyms:	2-(bromomethyl)-1,3,5-trimethylbenzene; 2-(bromomethyl)-1,3,5-trimethylbenzene

Technical Data

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Computed Properties

IUPAC Name:	2-(bromomethyl)-1,3,5-trimethylbenzene
Description:	2,4,6-Trimethylbenzyl Bromide (CAS# 4761-00-6) is a useful reactant for organic reactions and synthesis.
Molecular Weight:	213.11
Molecular Formula:	C10H13Br
Canonical SMILES:	CC1=CC(=C(C(=C1)C)CBr)C
InChI:	InChI=1S/C10H13Br/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5H,6H2,1-3H3
InChI Key:	HIQNEJUMZTWMLW-UHFFFAOYSA-N
Boiling Point:	256.9 ℃ at 760 mmHg
Density:	1.27 g/cm³
Appearance:	White crystalline powder
MDL:	MFCD09056829
LogP:	3.50670

Publication Number	Title	Priority Date
WO-2021125412-A1	Defect-suppressed metal halide perovskite luminescent material, and light-emitting diode comprising same	20191216
WO-2021039929-A1	Ionic metal complex, anion detecting agent, anion detection method and aromatic compound	20190828
AU-2018303186-A1	Amine or (thio)amide containing LXR modulators	20170718
BR-112019020278-A2	COMPOUND AND PHARMACEUTICAL COMPOSITION	20170718
CA-3058087-A1	Amine or (thio)amide containing lxr modulators	20170718

PMID	Publication Date	Title	Journal
21580393	20100213	1-Mesitylmethyl-1Hbenzotriazole 3-oxide	Acta crystallographica. Section E, Structure reports online
21581590	20081217	Tetra-kis{2,4-bis-[(1-oxo-2-pyridyl)-sulfanyl-methyl]mesitylene} acetone hemisolvate 11.5-hydrate	Acta crystallographica. Section E, Structure reports online
21581080	20081031	1-[6-(Hydroxy-meth-yl)-2-pyrid-yl]-3-(2,4,6-trimethyl-benz-yl)-1H-imidazol-3-ium bromide	Acta crystallographica. Section E, Structure reports online
21201156	20080917	2-(Mesitylmethylsulfanyl)pyridine N-oxide monohydrate	Acta crystallographica. Section E, Structure reports online
21202705	20080503	2-(Mesitylmethyl-sulfan-yl)pyridine N-oxide-18-crown-6 (2/1)	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.02006
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	212.02006
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6