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Product No: AW7231

4-Fluoro-3-(trifluoromethyl)benzoic Acid, 98%

Name: 4-Fluoro-3-(trifluoromethyl)benzoic Acid
Brand: Chempure

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CAS Number

67515-55-3

Molecular Weight

208.11

Formula

C8H4F4O2

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About this item

IUPAC name	4-fluoro-3-(trifluoromethyl)benzoic acid
canonical smiles	C1=CC(=C(C=C1C(=O)O)C(F)(F)F)F
inchi	InChI=1S/C8H4F4O2/c9-6-2-1-4(7(13)14)3-5(6)8(10,11)12/h1-3H,(H,13,14)
inchi key	WZBPZYCJUADXRS-UHFFFAOYSA-N
molecular formula	C8H4F4O2
synonyms	4-Fluoro-3-(trifluoromethyl)benzoic acid 67515-55-3 4-Fluoro-3-trifluoromethylbenzoic acid MFCD00061294 4-Fluoro-3-(trifluomethyl)benzoic acid

Computed Properties

Molecular Weight:	208.11 g/mol
XLogP3:	2.4
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	1
Exact Mass:	208.01474201 g/mol
Monoisotopic Mass:	208.01474201 g/mol
Topological Polar Surface Area:	37.3 Å²
Heavy Atom Count:	14
Formal Charge:	0
Complexity:	226
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

4-Nitrophenol

Gallic Acid

1-Chloro-4-nitrobenzene

4-Aminobenzoic acid

4-Hydroxybenzoic acid

Pentachloronitrobenzene

Isophthalic acid

4-Chlorobenzoic acid

4-Methylbenzoic acid

3,5-Dihydroxybenzoic acid

p-Anisic acid

Quinoline-2-carboxylic acid

3-Hydroxy-2-naphthoic acid

3,5-Dichlorobenzoic acid

4-Iodobenzoic acid

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	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
hazard statements	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]

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Documentation

Certificate of Analysis

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: AW7231

4-Fluoro-3-(trifluoromethyl)benzoic Acid, 98%

Product No: AW7231

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AW7231

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?