2-Bromo-4-(trifluoromethyl)benzaldehyde - CAS 85118-24-7

Catalog:	BB037495
Product Name:	2-Bromo-4-(trifluoromethyl)benzaldehyde
CAS:	85118-24-7
Synonyms:	2-bromo-4-(trifluoromethyl)benzaldehyde; 2-bromo-4-(trifluoromethyl)benzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-4-(trifluoromethyl)benzaldehyde
Description:	2-Bromo-4-(trifluoromethyl)benzaldehyde (CAS# 85118-24-7) is a useful research chemical.
Molecular Weight:	253.02
Molecular Formula:	C8H4BrF3O
Canonical SMILES:	C1=CC(=C(C=C1C(F)(F)F)Br)C=O
InChI:	InChI=1S/C8H4BrF3O/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-4H
InChI Key:	CUKSTNNYAHZPRM-UHFFFAOYSA-N
Boiling Point:	230 °C at 760 mmHg
Density:	1.677 g/cm³
MDL:	MFCD09835101
LogP:	3.28040

Publication Number	Title	Priority Date
WO-2021062319-A1	Indole carboxamide compounds and use thereof for the treatment of mycobacterial infections	20190926
WO-2019149660-A1	Triazolopyrimidine derivatives for use as ghrelin o-acyl transferase (goat) inhibitors	20180202
AU-2019215710-A1	Triazolopyrimidine derivatives for use as ghrelin O-acyl transferase (GOAT) inhibitors	20180202
BR-112020014436-A2	triazolopyrimidine derivatives, pharmaceutical composition and their uses as ghrelin o-acyl transferase (goat) inhibitors	20180202
CN-111683951-A	Triazolopyrimidine derivatives as ghrelin O-acyltransferase (GOAT) inhibitors	20180202

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GHS Hazard Statement:	H302 (100%): 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:	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