Triethyl orthobenzoate - CAS 1663-61-2

Catalog:	BB012276
Product Name:	Triethyl orthobenzoate
CAS:	1663-61-2
Synonyms:	triethoxymethylbenzene

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	triethoxymethylbenzene
Description:	Triethyl Orthobenzoate can be used as a thermal additive to air conditioning refrigerant oil. This compound can also be used as a catalyst for olefin polymerization.
Molecular Weight:	224.30
Molecular Formula:	C13H20O3
Canonical SMILES:	CCOC(C1=CC=CC=C1)(OCC)OCC
InChI:	InChI=1S/C13H20O3/c1-4-14-13(15-5-2,16-6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
InChI Key:	BQFPCTXLBRVFJL-UHFFFAOYSA-N
Boiling Point:	239-241 °C
Density:	0.991 g/cm³
MDL:	MFCD00009222
LogP:	2.90640

Publication Number	Title	Priority Date
CN-112592307-A	Preparation method of nintedanib intermediate	20210226
CN-112592307-B	Preparation method of nintedanib intermediate	20210226
CN-112147260-A	Method for simultaneously detecting 4 secondary metabolites in stylosanthes guianensis by UPLC method	20200929
CN-111848490-A	Preparation method of high-purity ethanesulfonic acid nintedanib	20200824
CN-111848490-B	Preparation method of high-purity ethanesulfonic acid nintedanib	20200824

PMID	Publication Date	Title	Journal
17206606	20070101	Synthesis, DNA binding and antiviral activity of new uracil, xanthine, and pteridine derivatives	Archiv der Pharmazie

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

Oxygen Compounds

[5896-75-3]
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[56517-33-0]
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde
[88-60-8]
2-tert-Butyl-5-methylphenol

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

Complexity:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.14124450
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	224.14124450
Rotatable Bond Count:	7
Topological Polar Surface Area:	27.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4