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4-Bromo-1-fluoro-2-iodobenzene

4-Bromo-1-fluoro-2-iodobenzene - CAS 116272-41-4

Catalog:	BB003733
Product Name:	4-Bromo-1-fluoro-2-iodobenzene
CAS:	116272-41-4
Synonyms:	4-bromo-1-fluoro-2-iodobenzene; 4-bromo-1-fluoro-2-iodobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-1-fluoro-2-iodobenzene
Description:	4-Bromo-1-fluoro-2-iodobenzene (CAS# 116272-41-4) is a useful research chemical.
Molecular Weight:	300.89
Molecular Formula:	C6H3BrFI
Canonical SMILES:	C1=CC(=C(C=C1Br)I)F
InChI:	InChI=1S/C6H3BrFI/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChI Key:	JNETZJWWXCLUKM-UHFFFAOYSA-N
Boiling Point:	247.4 °C at 760 mmHg
Density:	2.281 g/cm³
MDL:	MFCD07368751
LogP:	3.19280

Publication Number	Title	Priority Date
CN-112500260-A	Preparation method of 2-fluoro-5-bromoiodobenzene	20201204
CN-112266357-A	Fluorescent material with space charge transfer effect and application thereof	20201109
CN-111440137-A	3, 4-benzocoumarin derivative and preparation method and application thereof	20200428
WO-2021206488-A1	Novel anthracene compound and organic light-emitting element comprising same	20200409
KR-102258920-B1	Novel heterocyclic compound and organic electronic device comprising the same	20200327

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Related Functional Groups

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4