3-(2,2,2-Trifluoroethoxy)benzaldehyde - CAS 155908-58-0

Catalog:	BB049097
Product Name:	3-(2,2,2-Trifluoroethoxy)benzaldehyde
CAS:	155908-58-0
Synonyms:	Benzaldehyde, 3-(2,2,2-trifluoroethoxy)-; 3-(2,2,2-Trifluoroethoxy)-benzaldehyde

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	3-(2,2,2-trifluoroethoxy)benzaldehyde
Description:	3-(2,2,2-Trifluoroethoxy)benzaldehyde (CAS# 155908-58-0 ) is a useful research chemical.
Molecular Weight:	204.15
Molecular Formula:	C9H7F3O2
Canonical SMILES:	C1=CC(=CC(=C1)OCC(F)(F)F)C=O
InChI:	InChI=1S/C9H7F3O2/c10-9(11,12)6-14-8-3-1-2-7(4-8)5-13/h1-5H,6H2
InChI Key:	VXNUKVSIHDRZRA-UHFFFAOYSA-N
Boiling Point:	230.4±40.0 °C (Predicted)
Purity:	≥ 97 % by HPLC
Density:	1.292±0.06 g/cm³ (Predicted)

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
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[87-88-7]
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[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.03981395
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	204.03981395
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5