3,5-Bis(trifluoromethyl)benzaldehyde, 97%

Name: 3,5-Bis(trifluoromethyl)benzaldehyde
Brand: Chempure

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CAS Number

401-95-6

Molecular Weight

242.12

Formula

C9H4F6O

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About this item

IUPAC name	3,5-bis(trifluoromethyl)benzaldehyde
canonical smiles	C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C=O
inchi	InChI=1S/C9H4F6O/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-4H
inchi key	LDWLIXZSDPXYDR-UHFFFAOYSA-N
molecular formula	C9H4F6O
synonyms	3,5-Bis(trifluoromethyl)benzaldehyde 401-95-6 3,5-di(Trifluoromethyl)benzaldehyde MFCD00010206 3,5-Bistrifluoromethylbenzaldehyde

Computed Properties

Molecular Weight:	242.12 g/mol
XLogP3:	3.7
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	7
Rotatable Bond Count:	1
Exact Mass:	242.01663372 g/mol
Monoisotopic Mass:	242.01663372 g/mol
Topological Polar Surface Area:	17.1 Å²
Heavy Atom Count:	16
Formal Charge:	0
Complexity:	234
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

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (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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Product No: AA8582

3,5-Bis(trifluoromethyl)benzaldehyde, 97%

Product No: AA8582

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Product No: AA8582

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NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?