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

CAS: 31225-17-9 Cat. No.: D668004 Summenformel: C7H6Cl2N2O2 Molekulargewicht: 221.04
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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
Deutschland (EU)
USA*
Price
Qty
1mg
D668004-1mg
Auf Bestellung · 8–12 Wochen

496,26€

744,43€
Speichern 248,17 € (33.34%)
5mg
D668004-5mg
Auf Bestellung · 8–12 Wochen

1.735,39€

2.603,13€
Speichern 867,74 € (33.33%)
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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.

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Quality documents

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

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Literature proof

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

Specifications

Synonyme
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
Produkteigenschaften
ALogP2.4
Namen und Kennungen
Kanonisches LächelnC1=CC(=C(C=C1NC(=O)NO)Cl)Cl
IUPAC Name1-(3,4-dichlorophenyl)-3-hydroxyurea
InChIKeyVKYZMAVGJARVPE-UHFFFAOYSA-N
INCHI1S/C7H6Cl2N2O2/c8-5-2-1-4(3-6(5)9)10-7(12)11-13/h1-3,13H,(H2,10,11,12)
Isomere SMILES C1=CC(=C(C=C1NC(=O)NO)Cl)Cl
Molekulargewicht 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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
KlasseBenzene 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
BeschreibungThis 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
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
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
Zugehörige Ziele (nicht menschlich)
CA4 Carbonic anhydrase IV (1713 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
Molekulargewicht221.040 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
Lösungsrechner
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