1,3-Bis[4-(trifluoromethyl)phenyl]urea - ≥98%(HPLC) , CAS No.1960-88-9

CAS: 1960-88-9 Cat. No.: B152712 Molecular Weight: 348.25
AVAILABLE TO ORDER
GRADE & PURITY ≥98%(HPLC)
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
B152712-250mg
2
$137.90
1g
B152712-1g
2
$422.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal 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

Specifications & Purity
≥98%(HPLC)
Storage
Room temperature
Shipped In
Normal
Purity
≥98%(HPLC)
Names and Identifiers
Pubchem Sid504758931
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504758931
Canonical SmilesC1=CC(=CC=C1C(F)(F)F)NC(=O)NC2=CC=C(C=C2)C(F)(F)F
IUPAC Name1,3-bis[4-(trifluoromethyl)phenyl]urea
InChIKeyPEXQIAHZLFTVJU-UHFFFAOYSA-N
INCHI1S/C15H10F6N2O/c16-14(17,18)9-1-5-11(6-2-9)22-13(24)23-12-7-3-10(4-8-12)15(19,20)21/h1-8H,(H2,22,23,24)
Isomeric SMILES C1=CC(=CC=C1C(F)(F)F)NC(=O)NC2=CC=C(C=C2)C(F)(F)F
Molecular Weight 348.25
Reaxy-Rn 2903509
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2903509&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
ClassBenzene and substituted derivatives
SubclassN-phenylureas
Intermediate Tree Nodes Not available
Direct ParentN-phenylureas
Alternative Parents Trifluoromethylbenzenes  Ureas  Organopnictogen compounds  Organonitrogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl fluorides  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents N-phenylurea - Trifluoromethylbenzene - Carbonic acid derivative - Urea - Alkyl fluoride - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aromatic homomonocyclic compound
DescriptionThis 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 Structure
Interactive Chemical Structure Model





Associated Targets(Human)
EPHX2 Tchem Bifunctional epoxide hydrolase 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
EPHX2 Tchem Epoxide hydratase (3844 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MRGPRX2 Tchem Mas-related G-protein coupled receptor member X2 (67 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mycobacterium tuberculosis (203094 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate TypeDateItem
J2115528Certificate of AnalysisJul 10, 2025 B152712
J2115529Certificate of AnalysisJul 10, 2025 B152712
L2417192Certificate of AnalysisJun 08, 2021 B152712
Chemical and Physical Properties
Melt Point(°C)227 °C(dec.)
Molecular Weight348.240 g/mol
XLogP34.800
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass348.07 Da
Monoisotopic Mass348.07 Da
Topological Polar Surface Area41.100 Ų
Heavy Atom Count24
Formal Charge0
Complexity383.000
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
Solution Calculators
Reviews

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