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Cyclopropylbenzene - 95%, high purity , CAS No.873-49-4

COA

Grade & Purity:

≥95%

Cas Number: 873-49-4
Molecular Weight: 118.179
MDL number: MFCD00001275
PubChem CID: 70112
PubChem SID: 488184476

In stock

Item Number

C300934

Grouped product items
SKU	Size	Availability	Price
C300934-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$26.90
C300934-5g	5g	2	$102.90
C300934-25g	25g	2	$306.90
C300934-100g	100g	2	$1,104.90

Basic Description

Synonyms	Cyclopropylbenzene \| 873-49-4 \| Benzene, cyclopropyl- \| Phenylcyclopropane \| Cyclopropane, phenyl- \| 1-Phenylcyclopropane \| Cyclopropyl-benzene \| cyclopropyl benzene \| 1-cyclopropylbenzene \| S36BKW6LVE \| NSC-3018 \| MFCD00001275 \| NSC 3018 \| EINECS 212-839-1 \| Cyclopropylbenzene, 97%
Specifications & Purity	≥95%
Shipped In	Normal
Product Description	Cyclopropylbenzene is a cyclopropylarene and its oxidation by rabbit liver microsomal cytochrome P-450 has been studied. Gas-phase structure of cyclopropylbenzene has been studied by ab initio computational, microwave spectroscopic and electron diffraction techniques.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Aromatic hydrocarbons Unsaturated hydrocarbons
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488184476
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184476
IUPAC Name	cyclopropylbenzene
INCHI	InChI=1S/C9H10/c1-2-4-8(5-3-1)9-6-7-9/h1-5,9H,6-7H2
InChIKey	VFSFCYAQBIPUSL-UHFFFAOYSA-N
Smiles	C1CC1C2=CC=CC=C2
Isomeric SMILES	C1CC1C2=CC=CC=C2
Molecular Weight	118.179
Reaxy-Rn	1902839
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1902839&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot Number	Certificate Type	Date	Item
C2331496	Certificate of Analysis	Nov 23, 2022	C300934
C2331497	Certificate of Analysis	Nov 23, 2022	C300934
A2331578	Certificate of Analysis	Nov 21, 2022	C300934
A2331559	Certificate of Analysis	Nov 21, 2022	C300934
A2331521	Certificate of Analysis	Nov 21, 2022	C300934
A2331570	Certificate of Analysis	Nov 21, 2022	C300934
A2331549	Certificate of Analysis	Nov 21, 2022	C300934

Chemical and Physical Properties

Refractive Index	1.533
Flash Point(°F)	111.2 °F
Flash Point(°C)	44 °C
Boil Point(°C)	173.6 °C/753 mmHg
Molecular Weight	118.180 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	118.078 Da
Monoisotopic Mass	118.078 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	86.200
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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