2-Bromo-4-iodophenol - CAS 133430-98-5

Catalog:	BB055263
Product Name:	2-Bromo-4-iodophenol
CAS:	133430-98-5
Synonyms:	2-Bromo-4-iodophenol; Phenol, 2-bromo-4-iodo-; 2-bromo-4-iodo-phenol

Technical Data

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Patents

Computed Properties

IUPAC Name:	2-bromo-4-iodophenol
Molecular Weight:	298.9
Molecular Formula:	C6H4BrIO
Canonical SMILES:	C1=CC(=C(C=C1I)Br)O
InChI:	InChI=1S/C6H4BrIO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H
InChI Key:	PEAOEILWTHNQKK-UHFFFAOYSA-N

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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:	297.84902
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	297.84902
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9