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3-(Trifluoromethyl)benzenepropanal

3-(Trifluoromethyl)benzenepropanal structure

CAS No:
21172-41-8
Formula:
C10H9F3O
Chemical Name:
3-(Trifluoromethyl)benzenepropanal
Synonyms:
Benzenepropanal,3-(trifluoromethyl)-;Hydrocinnamaldehyde,m-(trifluoromethyl)-;3-(Trifluoromethyl)benzenepropanal;3-(3-Trifluoromethylphenyl)propionaldehyde;3-[3-(Trifluoromethyl)phenyl]propanal
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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3-(Trifluoromethyl)benzenepropanal Basic Attributes

Molecular Weight：

202.17300

Exact Mass：

202.17

DSSTox ID：

DTXSID00461591

HScode：

2913000090

Characteristics

PSA：

17.07000

XLogP3：

2.83690

Appearance：

colourless oil

Density：

1.192g/cm3

Boiling Point：

207.4ºC

Flash Point：

93.1ºC

Storage Conditions：

-20ºC Freezer

Safety Information

Stability/Shelf Life：

Not very stable, new spot on TLC if kept at r.t.

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:202.17
XLogP3:2.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:202.06054939
Monoisotopic Mass:202.06054939
Topological Polar Surface Area:17.1
Heavy Atom Count:14
Complexity:188
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(Trifluoromethyl)benzenepropanal

Basic Attributes
Characteristics
Safety Information
Computed Properties
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