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5-Bromo-2-iodobenzotrifluoride

5-Bromo-2-iodobenzotrifluoride - CAS 364-12-5

Catalog:	BB022965
Product Name:	5-Bromo-2-iodobenzotrifluoride
CAS:	364-12-5
Synonyms:	4-bromo-1-iodo-2-(trifluoromethyl)benzene; 4-bromo-1-iodo-2-(trifluoromethyl)benzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-1-iodo-2-(trifluoromethyl)benzene
Description:	5-Bromo-2-iodobenzotrifluoride (CAS# 364-12-5) is a useful research chemical.
Molecular Weight:	350.90
Molecular Formula:	C7H3BrF3I
Canonical SMILES:	C1=CC(=C(C=C1Br)C(F)(F)F)I
InChI:	InChI=1S/C7H3BrF3I/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H
InChI Key:	FTIZUXGKTNJZEG-UHFFFAOYSA-N
Boiling Point:	238.6 °C at 760 mmHg
Density:	2.176 g/cm³
MDL:	MFCD00672935
LogP:	4.07250

Publication Number	Title	Priority Date
WO-2020012336-A1	C-mannoside compounds useful for the treatment of urinary tract infections	20180710
AU-2019301946-A1	C-mannoside compounds useful for the treatment of urinary tract infections	20180710
TW-202019893-A	Novel compound	20180710
CN-112334455-A	C-mannoside compounds for the treatment of urinary tract infections	20180710
KR-20210031682-A	C-mannoside compounds useful in the treatment of urinary tract infections	20180710

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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:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	349.84149
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	349.84149
Rotatable Bond Count:	0
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1