Cyclopropylbenzene - CAS 873-49-4

Catalog:	BB038393
Product Name:	Cyclopropylbenzene
CAS:	873-49-4
Synonyms:	cyclopropylbenzene

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	cyclopropylbenzene
Description:	Cyclopropylbenzene (CAS# 873-49-4) is a useful research chemical.
Molecular Weight:	118.18
Molecular Formula:	C9H10
Canonical SMILES:	C1CC1C2=CC=CC=C2
InChI:	InChI=1S/C9H10/c1-2-4-8(5-3-1)9-6-7-9/h1-5,9H,6-7H2
InChI Key:	VFSFCYAQBIPUSL-UHFFFAOYSA-N
Boiling Point:	173.6 °C
Density:	0.94 g/cm³
MDL:	MFCD00001275
LogP:	2.56400

Publication Number	Title	Priority Date
US-2021275683-A1	Nectin-4 antibody conjugates and uses thereof	20200221
WO-2021168274-A1	Nectin-4 antibody conjugates and uses thereof	20200221
CN-110862292-A	Preparation method of 1-aryl-1, 2-dibromoethane	20191119
CN-110862292-B	Preparation method of 1-aryl-1, 2-dibromoethane	20191119
WO-2021090863-A1	Laminate body that includes temporary adhesive film; temporary adhesive composition; laminate body manufacturing method; and semiconductor element manufacturing method	20191107

PMID	Publication Date	Title	Journal
22818040	20120901	Synthesis and biological evaluation of novel C-indolylxylosides as sodium-dependent glucose co-transporter 2 inhibitors	European journal of medicinal chemistry
21917466	20111015	Synthesis and anticonvulsant activity of new N-Mannich bases derived from 5-cyclopropyl-5-phenyl- and 5-cyclopropyl-5-(4-chlorophenyl)-imidazolidine-2,4-diones	Bioorganic & medicinal chemistry
21737272	20110801	Identification of MK-5710 ((8aS)-8a-methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(1-phenyl-1H-pyrazol-5-yl)hexahydroimid azo[1,5-a]pyrazine-7(1H)-carboxamide), a potent smoothened antagonist for use in Hedgehog pathway dependent malignancies, part 1	Bioorganic & medicinal chemistry letters
21521154	20110701	The design and application of target-focused compound libraries	Combinatorial chemistry & high throughput screening
21469172	20110401	Synthesis and anticonvulsant activity of new n-mannich bases derived from 5-cyclopropyl-5-phenyl-hydantoins	Archiv der Pharmazie

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Related Functional Groups

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[843673-72-3]
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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, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	86.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	118.078250319
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	118.078250319
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3