3,4,5-Trifluorobenzamide - CAS 78324-75-1

Catalog:	BB036151
Product Name:	3,4,5-Trifluorobenzamide
CAS:	78324-75-1
Synonyms:	3,4,5-trifluorobenzamide

Technical Data

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Computed Properties

IUPAC Name:	3,4,5-trifluorobenzamide
Description:	3,4,5-Trifluorobenzamide (CAS# 78324-75-1) is a useful research chemical.
Molecular Weight:	175.11
Molecular Formula:	C7H4F3NO
Canonical SMILES:	C1=C(C=C(C(=C1F)F)F)C(=O)N
InChI:	InChI=1S/C7H4F3NO/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H2,11,12)
InChI Key:	NCMVOBYFZPFCOH-UHFFFAOYSA-N
Boiling Point:	166 °C at 760 mmHg
Density:	1.45 g/cm³
MDL:	MFCD00083524
LogP:	1.90310

Publication Number	Title	Priority Date
JP-2021522237-A	Pteridinone compounds and their use	20180424
TW-201726828-A	Charge transport coating and organic electroluminescent element	20150527
US-2016332996-A1	Hepatitis B Antiviral Agents	20150513
WO-2016183266-A1	Ehpatitis b antiviral agents	20150513
US-10738035-B2	Hepatitis B antiviral agents	20150513

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
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[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
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[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

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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:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.02449824
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.02449824
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1