1-Methoxy-1,4-cyclohexadiene - CAS 2886-59-1

Name: 1-Methoxy-1,4-cyclohexadiene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB019993
Product Name:	1-Methoxy-1,4-cyclohexadiene
CAS:	2886-59-1
Synonyms:	1-methoxycyclohexa-1,4-diene

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Computed Properties

IUPAC Name:	1-methoxycyclohexa-1,4-diene
Description:	1-Methoxy-1,4-cyclohexadiene (CAS# 2886-59-1) is used in process for preparation of Ruthenium(0) Arene α-Diimine complexes as precursors for vapor and solution deposition of Ruthenium films.
Molecular Weight:	110.15
Molecular Formula:	C7H10O
Canonical SMILES:	COC1=CCC=CC1
InChI:	InChI=1S/C7H10O/c1-8-7-5-3-2-4-6-7/h2-3,6H,4-5H2,1H3
InChI Key:	RGXIXVNKYUAKHS-UHFFFAOYSA-N
Boiling Point:	170.5 °C at 760 mmHg
Density:	0.94 g/mL at 25 °C (lit.)
MDL:	MFCD00001536
LogP:	1.86670

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Related Functional Groups

Oxygen Compounds

[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[5333-45-9]C10H14O4
1,2,3,5-Tetramethoxybenzene
[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[5416-55-7]C10H20O5
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[610-78-6]C6H4ClNO3
4-Chloro-3-nitrophenol

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112079759-A	Caprolactam production device and production method	20200902
CN-112079760-A	Method and system for refining caprolactam	20200902
CN-112142670-A	Preparation method of caprolactam	20200902
WO-2021144395-A1	Carboxylic dithiocarbamic acid anhydride compounds and compositions thereof	20200115
EP-3599241-A1	Organometallic compound	20180727

PMID	Publication Date	Title	Journal
22460271	20120521	Brominated boron dipyrrins: synthesis, structure, spectral and electrochemical properties	Dalton transactions (Cambridge, England : 2003)
21079799	20101104	Differential volatile signatures from skin, naevi and melanoma: a novel approach to detect a pathological process	PloS one
12375936	20021017	Stereocontrolled synthesis of kelsoene by the homo-favorskii rearrangement	Organic letters

Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	110.073164938
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	110.073164938
Rotatable Bond Count:	1
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9