3,5-Bis(tert-butyl)benzaldehyde
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3,5-Bis(tert-butyl)benzaldehyde
structure -
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CAS No:
17610-00-3
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Formula:
C15H22O
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Chemical Name:
3,5-Bis(tert-butyl)benzaldehyde
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Synonyms:
RARECHEM AQ A2 0001;3,5-BIS(TERT-BUTYL)BENZALDEHYDE;3,5-DI-TERT-BUTYL-BENZALDEHYDE;3,5-BIS(TERT-BUTYL)BENZALDEHYDE 97%;3,5-BIS(TERT-BUTYL)BENZLDEHYDE;3,5-Bis(tert-butyl)benzaldehyde,97%;3,5-Bis(tert-butyl)benzaldehyde3,5-Di-tert-butylbenzaldehyde;3,5-Di-tert-butylbenzaldehyle
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CAS No:
3,5-Bis(tert-butyl)benzaldehyde Basic Attributes
218.33
218.167068
1592732-453-0
DTXSID80361484
29122990
Characteristics
17.1
4.7
off-white powder
0.9445 (rough estimate)
85-89 °C(lit.)
132°C/5mmHg(lit.)
53.1±5.0 °C
1.5410 (estimate)
1.38E-07mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
22-24/25
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
3,5-Bis(tert-butyl)benzaldehyde Use and Manufacturing
Preparation 13 , 5-Di-/er/-butylbenzaldehydeDissolve l-bromo-3, 5-di-/er/-butylbenzene (5.00 g, 18.57 mmol) in THF (50 mL) under a nitrogen atmosphere. Cool to -78 °C. Slowly add w-butyllithium (2.5 M in hexanes) (22.29 mL, 55.72 mmol) at -78 °C. Stir at -78 °C for about 30 min. Add DMF (4.31 mL, 55.72 mmol) dropwise. Warm the mixture to 0 °C and stir for 2.5 h. Pour aqueous NH
Computed Properties
Molecular Weight:218.33
XLogP3:4.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:218.167065321
Monoisotopic Mass:218.167065321
Topological Polar Surface Area:17.1
Heavy Atom Count:16
Complexity:219
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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