4-Bromo-2-(trifluoromethyl)benzaldehyde - CAS 861928-27-0

Catalog:	BB037850
Product Name:	4-Bromo-2-(trifluoromethyl)benzaldehyde
CAS:	861928-27-0
Synonyms:	4-bromo-2-(trifluoromethyl)benzaldehyde; 4-bromo-2-(trifluoromethyl)benzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-2-(trifluoromethyl)benzaldehyde
Description:	4-Bromo-2-(trifluoromethyl)benzaldehyde (CAS# 861928-27-0) is a useful research chemical.
Molecular Weight:	253.02
Molecular Formula:	C8H4BrF3O
Canonical SMILES:	C1=CC(=C(C=C1Br)C(F)(F)F)C=O
InChI:	InChI=1S/C8H4BrF3O/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-4H
InChI Key:	PROPHDFGNNBHJX-UHFFFAOYSA-N
Boiling Point:	243 °C
Density:	1.677 g/cm³
Appearance:	Pale yellow crystalline
MDL:	MFCD09037472
LogP:	3.28040

Publication Number	Title	Priority Date
WO-2021175200-A1	Ferroptosis inhibitorsâ€"diarylamine para-acetamides	20200302
WO-2021062319-A1	Indole carboxamide compounds and use thereof for the treatment of mycobacterial infections	20190926
CN-109880065-B	Conjugated polymer containing trifluoromethyl as well as preparation method and application thereof	20190226
WO-2020132792-A1	2-benzoyl malonate compound, preparation method therefor and application thereof	20181224
CN-111348996-A	2-benzoyl malonate compound, preparation method and application thereof	20181224

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Carbonyl Compounds

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GHS Hazard Statement:	H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	251.93976
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	251.93976
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3