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2-(2,2,2-Trifluoroethoxy)benzaldehyde

2-(2,2,2-Trifluoroethoxy)benzaldehyde - CAS 145742-43-4

Catalog:	BB047350
Product Name:	2-(2,2,2-Trifluoroethoxy)benzaldehyde
CAS:	145742-43-4
Synonyms:	Benzaldehyde, 2-(2,2,2-trifluoroethoxy)-

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2-(2,2,2-trifluoroethoxy)benzaldehyde
Description:	2-(2,2,2-Trifluoroethoxy)benzaldehyde (CAS# 145742-43-4 ) is a useful research chemical.
Molecular Weight:	204.15
Molecular Formula:	C9H7F3O2
Canonical SMILES:	C1=CC=C(C(=C1)C=O)OCC(F)(F)F
InChI:	InChI=1S/C9H7F3O2/c10-9(11,12)6-14-8-4-2-1-3-7(8)5-13/h1-5H,6H2
InChI Key:	MNWBWWJSOWACTN-UHFFFAOYSA-N
Boiling Point:	231.0±40.0 °C at 760 mmHg
Density:	1.3±0.1 g/cm³

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Related Functional Groups

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Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
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[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

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Oxygen Compounds

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Batyl alcohol
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3-Methylphenylacetaldehyde dimethyl acetal
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DBCO-PEG4-NHS ester
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Diethyl trans-cinnamylphosphonate
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2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

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:	2.8