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Chlorfluazuron - analytical standard, high purity , CAS No.71422-67-8

COA

Grade & Purity:

analytical standard

Cas Number: 71422-67-8
Molecular Weight: 540.65
Beilstein Registry Number: 8369967
MDL number: MFCD00143948
PubChem CID: 91708

In stock

Item Number

C768831

Grouped product items
SKU	Size	Availability	Price	Qty
C768831-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$182.90

Basic Description

Specifications & Purity	analytical standard
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.
Grade	analytical standard

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass N-phenylureas
      - Level5 N-acyl-phenylureas
        Level6 N-benzoyl-N'-phenylureas

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	N-phenylureas
Intermediate Tree Nodes	N-acyl-phenylureas
Direct Parent	N-benzoyl-N'-phenylureas
Alternative Parents	Diarylethers 2-halobenzoic acids and derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives Dichlorobenzenes Fluorobenzenes Aryl chlorides Pyridines and derivatives Aryl fluorides Vinylogous halides Heteroaromatic compounds Ureas Carboxylic acids and derivatives Azacyclic compounds Organic oxides Organochlorides Organofluorides Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Alkyl fluorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-benzoyl-n'-phenylurea - Diaryl ether - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - Benzoyl - Fluorobenzene - Chlorobenzene - Halobenzene - Aryl halide - Aryl fluoride - Pyridine - Aryl chloride - Vinylogous halide - Heteroaromatic compound - Carbonic acid derivative - Urea - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organooxygen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-benzoyl-n'-phenylureas. These are n-acyl-phenylureas that have the acyl group substituted by a phenyl group.
External Descriptors	Pesticides
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	N-[[3,5-dichloro-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]carbamoyl]-2,6-difluorobenzamide
INCHI	InChI=1S/C20H9Cl3F5N3O3/c21-10-5-9(30-19(33)31-17(32)15-13(24)2-1-3-14(15)25)6-11(22)16(10)34-18-12(23)4-8(7-29-18)20(26,27)28/h1-7H,(H2,30,31,32,33)
InChIKey	UISUNVFOGSJSKD-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2)Cl)OC3=C(C=C(C=N3)C(F)(F)F)Cl)Cl)F
Isomeric SMILES	C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2)Cl)OC3=C(C=C(C=N3)C(F)(F)F)Cl)Cl)F
WGK Germany	3
RTECS	CV3459580
PubChem CID	91708
Molecular Weight	540.65
Beilstein	8369967

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	540.600 g/mol
XLogP3	6.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	538.963 Da
Monoisotopic Mass	538.963 Da
Topological Polar Surface Area	80.300 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	715.000
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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