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2-(Chloromethyl)phenethyl benzoate - ≥95%, high purity , CAS No.168476-58-2

COA

Grade & Purity:

≥95%

Cas Number: 168476-58-2
Molecular Weight: 274.74
MDL number: MFCD01570868
PubChem CID: 2794926

In stock

Item Number

P768268

Grouped product items
SKU	Size	Availability	Price
P768268-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$391.90
P768268-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,016.90
P768268-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,076.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acid esters
Alternative Parents	Benzyl chlorides Benzoyl derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoate ester - Benzoyl - Benzyl chloride - Benzyl halide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Alkyl halide - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl chloride - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
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

INCHI	InChI=1S/C16H15ClO2/c17-12-15-9-5-4-6-13(15)10-11-19-16(18)14-7-2-1-3-8-14/h1-9H,10-12H2
InChIKey	ROPIKNICZPOGML-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C(=O)OCCC2=CC=CC=C2CCl
Isomeric SMILES	C1=CC=C(C=C1)C(=O)OCCC2=CC=CC=C2CCl
Molecular Weight	274.74

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	274.740 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	274.076 Da
Monoisotopic Mass	274.076 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	274.000
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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