3,5-Di-tert-butylbenzaldehyde - CAS 17610-00-3

Name: 3,5-Di-tert-butylbenzaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	3,5-ditert-butylbenzaldehyde
Description:	3,5-Di-tert-butylbenzaldehyde acts as a reagent in the preparation of triaryl pyrazoles as a potent pan antagonists for the treatment of osteoarthritic pains. A reagent for the preparation of nickel phenalenyl-fused porphyrins with potential applications in electronics and photonics.
Molecular Weight:	218.33
Molecular Formula:	C15H22O
Canonical SMILES:	CC(C)(C)C1=CC(=CC(=C1)C=O)C(C)(C)C
InChI:	InChI=1S/C15H22O/c1-14(2,3)12-7-11(10-16)8-13(9-12)15(4,5)6/h7-10H,1-6H3
InChI Key:	BRUITYMDHWNCIG-UHFFFAOYSA-N
Boiling Point:	266.2 °C at 760 mmHg
Density:	0.931 g/cm³
MDL:	MFCD00026298
LogP:	4.09410

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-111825684-A	Modifiable hyperconjugated triple fused porphyrin dimer strong two-photon absorption material and preparation thereof	20200312
CN-112094277-A	Triple fused porphyrin dimer covalent functionalized single-walled carbon nanotube nonlinear nano hybrid material and preparation thereof	20200312
CN-111825684-B	Modifiable hyperconjugated triple fused porphyrin dimer strong two-photon absorption material and preparation thereof	20200312
CN-112094277-B	Triple fused porphyrin dimer covalent functionalized single-walled carbon nanotube nonlinear nano hybrid material and preparation thereof	20200312
WO-2021036978-A1	Tetradentate ligands, gold(iii) complexes, preparation method and use thereof	20190823

Complexity:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.167065321
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	218.167065321
Rotatable Bond Count:	3
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.7