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1-(4-Chlorophenyl)-5-propyl-1H-pyrazole-4-carbonyl chloride - 95%, high purity , CAS No.175137-18-5

COA

Grade & Purity:

≥95%

Cas Number: 175137-18-5
Molecular Weight: 283.15
MDL number: MFCD00173855
PubChem CID: 2777585

In stock

Item Number

B300020

Grouped product items
SKU	Size	Availability	Price	Qty
B300020-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$241.90
B300020-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$687.90

Basic Description

Synonyms	175137-18-5 \| 1-(4-CHLOROPHENYL)-5-PROPYL-1H-PYRAZOLE-4-CARBONYL CHLORIDE \| 1-(4-chlorophenyl)-5-propylpyrazole-4-carbonyl chloride \| YLYXUXZCBMWGQV-UHFFFAOYSA-N \| SCHEMBL1403169 \| DTXSID00380576 \| MFCD00173855 \| AKOS015908585 \| BP-13346 \| BS-21746 \| FT-0605695 \| 1-(4-chloroph
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrazoles
Alternative Parents	Chlorobenzenes Aryl chlorides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Acyl chlorides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpyrazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Acyl chloride - Azacycle - Acyl halide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
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	1-(4-chlorophenyl)-5-propylpyrazole-4-carbonyl chloride
INCHI	InChI=1S/C13H12Cl2N2O/c1-2-3-12-11(13(15)18)8-16-17(12)10-6-4-9(14)5-7-10/h4-8H,2-3H2,1H3
InChIKey	YLYXUXZCBMWGQV-UHFFFAOYSA-N
Smiles	CCCC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)Cl
Isomeric SMILES	CCCC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)Cl
Molecular Weight	283.15
Reaxy-Rn	14088220
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14088220&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	283.150 g/mol
XLogP3	4.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	282.033 Da
Monoisotopic Mass	282.033 Da
Topological Polar Surface Area	34.900 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	293.000
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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