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1-Bromo-2,3,5,6-tetramethylbenzene

1-Bromo-2,3,5,6-tetramethylbenzene - CAS 1646-53-3

Catalog:	BB012131
Product Name:	1-Bromo-2,3,5,6-tetramethylbenzene
CAS:	1646-53-3
Synonyms:	3-bromo-1,2,4,5-tetramethylbenzene

Technical Data

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Computed Properties

IUPAC Name:	3-bromo-1,2,4,5-tetramethylbenzene
Description:	1-Bromo-2,3,5,6-tetramethylbenzene (CAS# 1646-53-3) is a useful research chemical.
Molecular Weight:	213.11
Molecular Formula:	C10H13Br
Canonical SMILES:	CC1=CC(=C(C(=C1C)Br)C)C
InChI:	InChI=1S/C10H13Br/c1-6-5-7(2)9(4)10(11)8(6)3/h5H,1-4H3
InChI Key:	WJKBPTLQJXKEHC-UHFFFAOYSA-N
Boiling Point:	111 ℃ (6 torr)
Purity:	98 %
Density:	1.248 g/cm³
MDL:	MFCD00000070
LogP:	3.68270

Publication Number	Title	Priority Date
US-11010651-B1	Optically configurable charge-transfer materials and methods thereof	20181126
US-2021256335-A1	Optically configurable charge-transfer materials and methods thereof	20181126
CN-102351910-A	Method for preparing rare earth-organoboron framework compound	20110526
CN-102351910-B	Method for preparing rare earth-organoboron framework compound	20110526
EP-2705044-A1	Novel cephalosporins useful as antibacterial agents	20110502

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	119
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:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1