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1-Bromo-3-chloro-5-iodobenzene

1-Bromo-3-chloro-5-iodobenzene - CAS 13101-40-1

Name: 1-Bromo-3-chloro-5-iodobenzene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB007224
Product Name:	1-Bromo-3-chloro-5-iodobenzene
CAS:	13101-40-1
Synonyms:	1-bromo-3-chloro-5-iodobenzene; 1-bromo-3-chloro-5-iodobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-bromo-3-chloro-5-iodobenzene
Description:	1-Bromo-3-chloro-5-iodobenzene (CAS# 13101-40-1) is a useful research chemical.
Molecular Weight:	317.35
Molecular Formula:	C6H3BrClI
Canonical SMILES:	C1=C(C=C(C=C1Br)I)Cl
InChI:	InChI=1S/C6H3BrClI/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChI Key:	RSGRRCWDCXLEHS-UHFFFAOYSA-N
Boiling Point:	280.4 ± 25.0 °C
Purity:	99 %
Density:	2.272 ± 0.06 g/mL
Appearance:	Yellowish crystalline solid
MDL:	MFCD07778998
LogP:	3.70710

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Related Functional Groups

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GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113264911-A	Compound, organic light-emitting material and organic electroluminescent device	20210430
CN-113321649-A	Compound, electron transport material and organic electroluminescent device	20210423
CN-113024512-A	Aromatic heterocyclic compound used as electron transport material and application thereof	20210330
CN-113045553-A	Aza-aromatic compound used as electron transport material and application thereof	20210330
CN-112159361-A	Electron transport material, organic electroluminescent device and display device	20201106

Complexity:	99.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	315.81514
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	315.81514
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9