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6-Fluoro-4-chromanone - 99%, high purity , CAS No.66892-34-0

COA

Grade & Purity:

≥99%

Cas Number: 66892-34-0
Molecular Weight: 166.15
EC Number: 266-511-8
MDL number: MFCD00038654
PubChem CID: 2733262
PubChem SID: 488192368

In stock

Item Number

F119724

Grouped product items
SKU	Size	Availability	Price
F119724-1g	1g	2	$20.90
F119724-5g	5g	2	$76.90
F119724-25g	25g	2	$346.90

View related series

Benzopyrans (61) Six-Membered Heterocyclic Compounds (1696)

Basic Description

Synonyms	Maybridge1_007252 \| Z382720990 \| EINECS 266-511-8 \| 6-Fluoro-chroman-4-one \| 6-fluorochroman-4-one \| FT-0621119 \| 2,3-dihydro-6-fluoro-4H-benzopyran-4-one \| 6-Fluoro-4-chromanone, 99% \| FS-1028 \| SY012025 \| DTXSID00217035 \| 6-Fluoro-4-chromanone \| A838170
Specifications & Purity	≥99%
Shipped In	Normal
Product Description	6-Fluoro-4-chromanone may be used as internal standard: to investigate the carbonyls emission from gasoline-powered light-duty vehicles (LDVs) and heavy-duty diesel-powered vehicles by chromatography-mass spectrometry analyses in a direct analysis of carbonyls in diesel emissions by new HPLC technique with atmospheric pressure chemical ionization (APCI) MS Application： 6-Fluoro-4-chromanone may be used as internal standard: to investigate the carbonyls emission from gasoline-powered light-duty vehicles (LDVs) and heavy-duty diesel-powered vehicles by chromatography-mass spectrometry analyses； in a direct analysis of carbonyls in diesel emissions by new HPLC technique with atmospheric pressure chemical ionization (APCI) MS。

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrans
    - Subclass 1-benzopyrans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrans
Subclass	1-benzopyrans
Intermediate Tree Nodes	Not available
Direct Parent	Chromones
Alternative Parents	Aryl alkyl ketones Alkyl aryl ethers Benzenoids Aryl fluorides Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Chromone - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Benzenoid - Aryl halide - Aryl fluoride - Ketone - Oxacycle - Ether - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
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	488192368
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488192368
IUPAC Name	6-fluoro-2,3-dihydrochromen-4-one
INCHI	InChI=1S/C9H7FO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2
InChIKey	SWBBIJZMIGAZHW-UHFFFAOYSA-N
Smiles	C1COC2=C(C1=O)C=C(C=C2)F
Isomeric SMILES	C1COC2=C(C1=O)C=C(C=C2)F
WGK Germany	3
Molecular Weight	166.15
Reaxy-Rn	4245390
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4245390&ln=

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
D1627029	Certificate of Analysis	Dec 18, 2023	F119724
B2301975	Certificate of Analysis	Nov 11, 2022	F119724
B2301990	Certificate of Analysis	Nov 11, 2022	F119724
B2301976	Certificate of Analysis	Nov 11, 2022	F119724
C2514054	Certificate of Analysis	Nov 11, 2022	F119724
B2301996	Certificate of Analysis	Nov 11, 2022	F119724
B23011001	Certificate of Analysis	Nov 11, 2022	F119724
B2301984	Certificate of Analysis	Nov 11, 2022	F119724

Chemical and Physical Properties

Melt Point(°C)	114-118℃
Molecular Weight	166.150 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	166.043 Da
Monoisotopic Mass	166.043 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	193.000
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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