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2-Bromo-1-fluoro-4-iodobenzene

2-Bromo-1-fluoro-4-iodobenzene - CAS 811842-30-5

Catalog:	BB036624
Product Name:	2-Bromo-1-fluoro-4-iodobenzene
CAS:	811842-30-5
Synonyms:	2-bromo-1-fluoro-4-iodobenzene; 2-bromo-1-fluoro-4-iodobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-1-fluoro-4-iodobenzene
Description:	2-Bromo-1-fluoro-4-iodobenzene (CAS# 811842-30-5) is a useful research chemical.
Molecular Weight:	300.89
Molecular Formula:	C6H3BrFI
Canonical SMILES:	C1=CC(=C(C=C1I)Br)F
InChI:	InChI=1S/C6H3BrFI/c7-5-3-4(9)1-2-6(5)8/h1-3H
InChI Key:	LHRMBQARSBULRX-UHFFFAOYSA-N
Boiling Point:	243.4 °C at 760 mmHg
Density:	2.281 g/cm³
MDL:	MFCD04116322
LogP:	3.19280

Publication Number	Title	Priority Date
CN-111097520-A	Covalent organic framework material loaded Pd catalyst and preparation method and application thereof	20191213
WO-2021058406-A1	Materials for organic electroluminescent devices	20190924
CN-112430190-A	Aromatic amine derivative and organic electroluminescent device comprising same	20190826
CN-112430248-A	Organic electroluminescent material and device	20190826
DE-102020210743-A1	AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING IT	20190826

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	99.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	299.84469
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	299.84469
Rotatable Bond Count:	0
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4