6,6-Dimethylfulvene - CAS 2175-91-9

Catalog:	BB017135
Product Name:	6,6-Dimethylfulvene
CAS:	2175-91-9
Synonyms:	5-propan-2-ylidenecyclopenta-1,3-diene

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Computed Properties

IUPAC Name:	5-propan-2-ylidenecyclopenta-1,3-diene
Description:	6,6-Dimethylfulvene (CAS# 2175-91-9) is a useful research chemical.
Molecular Weight:	106.17
Molecular Formula:	C8H10
Canonical SMILES:	CC(=C1C=CC=C1)C
InChI:	InChI=1S/C8H10/c1-7(2)8-5-3-4-6-8/h3-6H,1-2H3
InChI Key:	WXACXMWYHXOSIX-UHFFFAOYSA-N
Boiling Point:	76-77 °C50 mmHg (lit.)
Melting Point:	3 °C
Purity:	95 %
Density:	0.881 g/mL at 25 °C (lit.)
Appearance:	Clear liquid
Storage:	-20 °C
MDL:	MFCD00011655
LogP:	2.44880

Publication Number	Title	Priority Date
US-2021261697-A1	Metallocene catalysts for polyethylene	20200221
WO-2021168023-A1	Metallocene catalysts for polyethylene	20200221
KR-20210074933-A	Cyclic olefin copolymer and film comprising the same	20191212
KR-20210049351-A	Encapsulation composition	20191025
CN-110632207-A	Method for identifying mold based on volatile gas components and evolution trend thereof	20191010

PMID	Publication Date	Title	Journal
19655767	20090903	Triphenylphosphine reduction of saturated endoperoxides	Organic letters
16268582	20051111	Internally solvated cyclopentadienyllithium compounds: structural integrity of the Cp-Li+ moiety. NMR, dynamics, X-ray crystallography, and calculations	The Journal of organic chemistry
15995745	20050721	Synthesis and structural characterization of mono- and bisfunctional o-carboranes	Dalton transactions (Cambridge, England : 2003)
12515470	20030110	Reaction of 2,2-bis(trifluoromethyl)-1,1-dicyanoethylene with 6,6-dimethylfulvene: cycloadditions and a rearrangement	The Journal of organic chemistry
11855717	20020202	Alpha-amino acids with metallocenyl side chains	Chemistry (Weinheim an der Bergstrasse, Germany)

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P301+P310, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	106.078250319
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	106.078250319
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8