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2-Bromo-4-nitro-1-(trifluoromethoxy)benzene

2-Bromo-4-nitro-1-(trifluoromethoxy)benzene - CAS 200958-40-3

Catalog:	BB015649
Product Name:	2-Bromo-4-nitro-1-(trifluoromethoxy)benzene
CAS:	200958-40-3
Synonyms:	2-bromo-4-nitro-1-(trifluoromethoxy)benzene; 2-bromo-4-nitro-1-(trifluoromethoxy)benzene

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-4-nitro-1-(trifluoromethoxy)benzene
Description:	2-Bromo-4-nitro-1-(trifluoromethoxy)benzene (CAS# 200958-40-3) is a useful research chemical.
Molecular Weight:	286.00
Molecular Formula:	C7H3BrF3NO3
Canonical SMILES:	C1=CC(=C(C=C1[N+](=O)[O-])Br)OC(F)(F)F
InChI:	InChI=1S/C7H3BrF3NO3/c8-5-3-4(12(13)14)1-2-6(5)15-7(9,10)11/h1-3H
InChI Key:	LVTAFGFYMLODQP-UHFFFAOYSA-N
Boiling Point:	260.7 °C at 760 mmHg
Density:	1.811 g/cm³
MDL:	MFCD04973758
LogP:	3.77910

Publication Number	Title	Priority Date
WO-2021188880-A1	Benzenesulfonamide derivatives as trap1 modulators and uses thereof	20200320
TW-201922724-A	Substituted 3-phenylquinazolin-4(3H)-ones and uses thereof	20170929
WO-2019063704-A1	SUBSTITUTED 3-PHENYLQUINAZOLIN-4 (3H) -ONES AND USES THEREOF	20170929
WO-2019063708-A1	SUBSTITUTED 3-PHENYLQUINAZOLIN-4 (3H) -ONES AND USES THEREOF	20170929
AU-2015247575-A1	Polycyclic hERG activators	20140417

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GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (33.33%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (33.33%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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:	243
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	284.92484
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	284.92484
Rotatable Bond Count:	1
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6