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Acetyl chloride-1-¹³C - 99 atom% ¹³C, high purity , CAS No.1520-57-6

COA

Grade & Purity:

≥96%(SDS-PAGE)

Cas Number: 1520-57-6
Molecular Weight: 79.49
MDL number: MFCD00000723
PubChem CID: 12214084

In stock

Item Number

A473840

Grouped product items
SKU	Size	Availability	Price	Qty
A473840-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$501.90
A473840-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$890.90

Basic Description

Synonyms	DTXSID90480751 \| AKOS015910676 \| Acetyl chloride-1-13C, 99 atom % 13C \| J-008880 \| Acetyl-1-13C chloride(7CI,9CI) \| Acetyl chloride-1-13C
Specifications & Purity	≥99 atom% 13C
Storage Temp	Store at 2-8°C
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 Organohalogen compounds
  - Class Acyl halides
    - Subclass Acyl chlorides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Acyl halides
Subclass	Acyl chlorides
Intermediate Tree Nodes	Not available
Direct Parent	Acyl chlorides
Alternative Parents	Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as acyl chlorides. These are organic compounds containing the functional group -CO-Cl.
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

IUPAC Name	acetyl chloride
INCHI	InChI=1S/C2H3ClO/c1-2(3)4/h1H3/i2+1
InChIKey	WETWJCDKMRHUPV-VQEHIDDOSA-N
Smiles	CC(=O)Cl
Isomeric SMILES	C[13C](=O)Cl
Molecular Weight	79.49
Reaxy-Rn	1901709
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1901709&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	79.490 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	78.9906 Da
Monoisotopic Mass	78.9906 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	4
Formal Charge	0
Complexity	33.000
Isotope Atom Count	1
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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