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1-(3-bromophenyl)cyclopropane-1-carbonitrile - 97%, high purity , CAS No.124276-83-1

COA

Grade & Purity:

≥97%

Cas Number: 124276-83-1
Molecular Weight: 222.081
PubChem CID: 20026178
PubChem SID: 488199769

In stock

Item Number

B172873

Grouped product items
SKU	Size	Availability	Price
B172873-1g	1g	5	$45.90
B172873-250mg	250mg	5	$13.90
B172873-5g	5g	2	$123.90

Basic Description

Synonyms	1-(3-Bromophenyl)cyclopropanecarbonitrile \| 124276-83-1 \| 1-(3-BROMOPHENYL)CYCLOPROPANE-1-CARBONITRILE \| Cyclopropanecarbonitrile, 1-(3-bromophenyl)- \| 1-(3-BROMO-PHENYL)-CYCLOPROPANECARBONITRILE \| MFCD07374414 \| SCHEMBL3206919 \| DTXSID00601778 \| VHNBUFCWKWBTIZ-UHFFFAOYS
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Bromobenzenes
Alternative Parents	Aryl bromides Nitriles Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Bromobenzene - Aryl halide - Aryl bromide - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
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

Names and Identifiers

Pubchem Sid	488199769
IUPAC Name	1-(3-bromophenyl)cyclopropane-1-carbonitrile
INCHI	InChI=1S/C10H8BrN/c11-9-3-1-2-8(6-9)10(7-12)4-5-10/h1-3,6H,4-5H2
InChIKey	VHNBUFCWKWBTIZ-UHFFFAOYSA-N
Smiles	C1CC1(C#N)C2=CC(=CC=C2)Br
Isomeric SMILES	C1CC1(C#N)C2=CC(=CC=C2)Br
Molecular Weight	222.081
Reaxy-Rn	15727246
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15727246&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
C2323490	Certificate of Analysis	Feb 06, 2023	B172873
C2323536	Certificate of Analysis	Feb 06, 2023	B172873
C2323532	Certificate of Analysis	Feb 06, 2023	B172873
C2323199	Certificate of Analysis	Feb 06, 2023	B172873
C2323164	Certificate of Analysis	Feb 06, 2023	B172873
C2323482	Certificate of Analysis	Feb 06, 2023	B172873

Chemical and Physical Properties

Molecular Weight	222.080 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	220.984 Da
Monoisotopic Mass	220.984 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	223.000
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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