Linuron Solution in Acetonitrile - 1000μg/mL in Acetonitrile，Uncertainty 2% , CAS No.330-55-2

CAS: 330-55-2 Cat. No.: BWY396064 Formula: C₉H₁₀ClN₂O₂ Molecular Weight: 249.09 Beilstein Registry Number: 2128725 EC Number: 206-356-5

GRADE & PURITY 1000μg/mL in Acetonitrile，Uncertainty 2%

Synonyms

01XP1SU59O | Lorox Weed Killer | NCGC00258833-01 | Urea, 3-(3,4-dichlorophenyl)-1-methoxy-1-methyl- | BIDD:ER0455 | Du Pont 326 | Aphalon | DTXCID604163 | Dupont herbicide 326 | LINURON [HSDB] | NCGC00160429-05 | Afalon inuron | Profalon | 1-(3,4-Dichloro

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

01XP1SU59O | Lorox Weed Killer | NCGC00258833-01 | Urea, 3-(3,4-dichlorophenyl)-1-methoxy-1-methyl- | BIDD:ER0455 | Du Pont 326 | Aphalon | DTXCID604163 | Dupont herbicide 326 | LINURON [HSDB] | NCGC00160429-05 | Afalon inuron | Profalon | 1-(3,4-Dichloro

Specifications & Purity

1000μg/mL in Acetonitrile，Uncertainty 2%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Canonical Smiles

CN(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC

IUPAC Name

3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea

InChIKey

XKJMBINCVNINCA-UHFFFAOYSA-N

INCHI

1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)

Isomeric SMILES

CN(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC

WGK Germany

3

RTECS

YS9100000

UN Number

3077

Packing Group

III

Molecular Weight

249.09

Beilstein

2128725

Reaxy-Rn

2128725

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2128725&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Dichlorobenzenes Aryl chlorides Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylurea - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carbonic acid derivative - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
• External Descriptors: Phenylurea herbicides

Data sources

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

Associated Targets(Human)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

Discover Target: AHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Saccharomyces cerevisiae (19171 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Phaseolus vulgaris (518 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 93-94°C
• Molecular Weight: 249.090 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 248.012 Da
• Monoisotopic Mass: 248.012 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 228.000
• 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

Frequently Asked Questions

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 330-55-2, the molecular formula is C9H10Cl2N2O2, and the molecular weight is 249.09 g/mol. InChIKey XKJMBINCVNINCA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.