1-(3,4-Dichlorophenyl)-3-hydroxyurea , CAS No.31225-17-9

CAS: 31225-17-9 Cat. No.: D668004 Fórmula: C7H6Cl2N2O2 Peso molecular: 221.04
Disponível para encomenda
Synonyms
1-(3,4-Dichlorophenyl)-3-hydroxyurea | Dichlorphenyloxyurea | N-(3,4-Dichlorophenyl)-N'-hydroxyurea | Urea, 1-(3,4-dichlorophenyl)-3-hydroxy- | Urea, N-(3,4-dichlorophenyl)-N'-hydroxy- | NSC125191 | 5GKC25PU4B | NSC-125191 | EINECS 250-519-3 | NSC 125191
Storage
Room temperature
★
Size
Alemanha (EU)
USA*
Price
Qty
1mg
D668004-1mg
Sob encomenda · 8–12 semanas

496,26€

744,43€
Gravar 248,17 € (33.34%)
5mg
D668004-5mg
Sob encomenda · 8–12 semanas

1735,39€

2603,13€
Gravar 867,74 € (33.33%)
Enter a quantity for the sizes you want to add.
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
1-(3,4-Dichlorophenyl)-3-hydroxyurea | Dichlorphenyloxyurea | N-(3,4-Dichlorophenyl)-N'-hydroxyurea | Urea, 1-(3,4-dichlorophenyl)-3-hydroxy- | Urea, N-(3,4-dichlorophenyl)-N'-hydroxy- | NSC125191 | 5GKC25PU4B | NSC-125191 | EINECS 250-519-3 | NSC 125191
Condições de armazenamento de armazenamento
Room temperature
Propriedades do produto
ALogP
2.4
Nomes e identificadores
Sorrisos canónicos
C1=CC(=C(C=C1NC(=O)NO)Cl)Cl
IUPAC Name
1-(3,4-dichlorophenyl)-3-hydroxyurea
InChIKey
VKYZMAVGJARVPE-UHFFFAOYSA-N
INCHI
1S/C7H6Cl2N2O2/c8-5-2-1-4(3-6(5)9)10-7(12)11-13/h1-3,13H,(H2,10,11,12)
SMILES isoméricas
C1=CC(=C(C=C1NC(=O)NO)Cl)Cl
Peso molecular
221.04
Reaxy-Rn
2806578
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2806578&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
SubclassN-phenylureas
Intermediate Tree Nodes Not available
Direct ParentN-phenylureas
Alternative Parents Dichlorobenzenes  Aryl chlorides  Organic carbonic acids and derivatives  Organopnictogen compounds  Organonitrogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic 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
DescriçãoThis 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 Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
CA5A Tclin Carbonic anhydrase 5A, mitochondrial (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA2 Tclin Carbonic anhydrase 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA4 Tclin Carbonic anhydrase 4 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA9 Tclin Carbonic anhydrase 9 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA2 Tclin Carbonic anhydrase II (17698 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA5A Tclin Carbonic anhydrase VA (1168 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
CA4 Carbonic anhydrase IV (1713 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
Peso molecular221.040 g/mol
XLogP32.400
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass219.981 Da
Monoisotopic Mass219.981 Da
Topological Polar Surface Area61.400 Ų
Heavy Atom Count13
Formal Charge0
Complexity191.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

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