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4-Chloromethyl-3,5-dimethylisoxazole - 98%, high purity , CAS No.19788-37-5

COA

Grade & Purity:

≥98%

Cas Number: 19788-37-5
Molecular Weight: 145.59
Beilstein Registry Number: 110780
EC Number: 243-312-4
MDL number: MFCD00003154
PubChem CID: 88246
PubChem SID: 504755923

In stock

Item Number

C111821

Grouped product items
SKU	Size	Availability	Price
C111821-1g	1g	2	$55.90
C111821-5g	5g	3	$247.90
C111821-25g	25g	2	$1,115.90
C111821-100g	100g	2	$4,016.90

View related series

Halogenated heterocyclic block (1171) Oxazoles (110)

Basic Description

Synonyms	4-(Hydroxymethylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one \| EN300-11881 \| chloromethyl-3,5-dimethyl-isoxazole \| MFCD00003154 \| p-Hydroxyephedrine \| 3,5-DIMETHYLISOXAZOLE-4-CARBNYL CHLORIDE \| 4- chloromethyl-3,5-dimethylisoxazole \| 4-chloromethyl-3,5-dim
Specifications & Purity	≥98%
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.
Product Description	application： 4-Chloromethyl-3,5-dimethylisoxazole has been used in the preparation of: 4(3-oxoalkyl)isoxazole (E)-3,5-dimethyl-4-(2-(thiophene-3-yl)vinyl)isoxazole

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Isoxazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Isoxazoles
Intermediate Tree Nodes	Not available
Direct Parent	Isoxazoles
Alternative Parents	Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Heteroaromatic compound - Isoxazole - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as isoxazoles. These are heterocyclic organic compounds containing an isoxazole moiety, with a structure characterized by a five-member aromatic ring with one oxygen atom and one nitrogen atom at ring positions 1 and 2, respectively.
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	504755923
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755923
IUPAC Name	4-(chloromethyl)-3,5-dimethyl-1,2-oxazole
INCHI	InChI=1S/C6H8ClNO/c1-4-6(3-7)5(2)9-8-4/h3H2,1-2H3
InChIKey	NIFAUKBQIAURIM-UHFFFAOYSA-N
Smiles	CC1=C(C(=NO1)C)CCl
Isomeric SMILES	CC1=C(C(=NO1)C)CCl
WGK Germany	3
Molecular Weight	145.59
Beilstein	110780
Reaxy-Rn	110780
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=110780&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
G2405174	Certificate of Analysis	Apr 11, 2024	C111821
G2405175	Certificate of Analysis	Apr 11, 2024	C111821
H1514045	Certificate of Analysis	Apr 12, 2023	C111821
K2230919	Certificate of Analysis	Dec 10, 2022	C111821
I2215130	Certificate of Analysis	Jul 23, 2022	C111821
I2215039	Certificate of Analysis	Jul 23, 2022	C111821
I2215040	Certificate of Analysis	Jul 23, 2022	C111821
I2215038	Certificate of Analysis	Jul 23, 2022	C111821

Chemical and Physical Properties

Sensitivity	Heat Sensitive
Refractive Index	1.486-1.488
Flash Point(°F)	204.8 °F
Flash Point(°C)	95 °C
Boil Point(°C)	87-88°C
Molecular Weight	145.590 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	145.029 Da
Monoisotopic Mass	145.029 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	99.100
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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