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1,3-Dibromo-5-(tert-butyl)benzene

1,3-Dibromo-5-(tert-butyl)benzene - CAS 129316-09-2

Catalog:	BB006980
Product Name:	1,3-Dibromo-5-(tert-butyl)benzene
CAS:	129316-09-2
Synonyms:	1,3-dibromo-5-tert-butylbenzene; 1,3-dibromo-5-tert-butylbenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1,3-dibromo-5-tert-butylbenzene
Description:	1,3-Dibromo-5-(tert-butyl)benzene (CAS# 129316-09-2) is a useful research chemical.
Molecular Weight:	292.01
Molecular Formula:	C10H12Br2
Canonical SMILES:	CC(C)(C)C1=CC(=CC(=C1)Br)Br
InChI:	InChI=1S/C10H12Br2/c1-10(2,3)7-4-8(11)6-9(12)5-7/h4-6H,1-3H3
InChI Key:	SSPNOMJZVHXOII-UHFFFAOYSA-N
Boiling Point:	250 °C at 760 mmHg
Density:	1.549 g/cm³
Appearance:	Low melting solid
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD06657956
LogP:	4.50910

Publication Number	Title	Priority Date
CN-112125932-A	Bivalent platinum complex and application thereof	20200924
US-2021336151-A1	Light-Emitting Device Material, Electron-Transport Layer Material, Organic Compound, Light-Emitting Device, Light-Emitting Apparatus, Electronic Device, and Lighting Device	20200428
CN-113493389-A	Arylamine compound, material for hole transport layer and hole injection layer, light-emitting device and device, electronic device, and lighting device	20200403
DE-102021107060-A1	Arylamine compound, material for hole transport layer, material for hole injection layer, light-emitting device, light-emitting device, electronic device and lighting device	20200403
US-2021317069-A1	Arylamine compound, hole-transport layer material, hole-injection layer material, light-emitting device, light-emitting apparatus, electronic apparatus, and lighting device	20200403

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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:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	291.92853
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	289.93058
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5