1-[4-(Trifluoromethoxy)phenyl]biguanide hydrochloride - ≥97% , CAS No.42823-09-6

CAS: 42823-09-6 Cat. No.: T170318 Molecular Weight: 297.66 PubChem CID: 16217227
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
N-[4-(Trifluoromethoxy)Phenyl]-Imidodicarbonimidicdiamide Hydrochloride;1-[3-(TRIFLUOROMETHOXY)PHENYL]ACETONE; (3-(TRIFLUOROMETHOXY)PHENYL)ACETONE;
Storage
Argon charged,Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
T170318-1g
3
$13.90
5g
T170318-5g
4
$41.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Argon charged,Room temperature Ships Normal 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

Synonyms
N-[4-(Trifluoromethoxy)Phenyl]-Imidodicarbonimidicdiamide Hydrochloride;1-[3-(TRIFLUOROMETHOXY)PHENYL]ACETONE; (3-(TRIFLUOROMETHOXY)PHENYL)ACETONE;
Specifications & Purity
≥97%
Storage
Argon charged, Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid488199224
Canonical SmilesC1=CC(=CC=C1N=C(N)N=C(N)N)OC(F)(F)F.Cl
IUPAC Name1-(diaminomethylidene)-2-[4-(trifluoromethoxy)phenyl]guanidine;hydrochloride
InChIKeyVAWGZGSCMHDUCU-UHFFFAOYSA-N
INCHI1S/C9H10F3N5O.ClH/c10-9(11,12)18-6-3-1-5(2-4-6)16-8(15)17-7(13)14;/h1-4H,(H6,13,14,15,16,17);1H
Isomeric SMILES C1=CC(=CC=C1N=C(N)N=C(N)N)OC(F)(F)F.Cl
WGK Germany 3
PubChem CID 16217227
Molecular Weight 297.66

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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassPhenol ethers
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPhenol ethers
Alternative Parents Phenoxy compounds  Biguanides  Quaternary ammonium salts  Trihalomethanes  Propargyl-type 1,3-dipolar organic compounds  Carboximidamides  Organooxygen compounds  Organofluorides  Organic chloride salts  Imines  Hydrocarbon derivatives  Alkyl fluorides  Organic cations  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenoxy compound - Phenol ether - Biguanide - Monocyclic benzene moiety - Quaternary ammonium salt - Trihalomethane - Guanidine - Carboximidamide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Alkyl fluoride - Alkyl halide - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Imine - Halomethane - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





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.

5 results found

Lot NumberCertificate TypeDateItem
D2608040Certificate of AnalysisApr 15, 2026 T170318
E2029098Certificate of AnalysisJan 05, 2026 T170318
J2511099Certificate of AnalysisOct 21, 2025 T170318
I2223085Certificate of AnalysisJul 10, 2025 T170318
I2223086Certificate of AnalysisJul 10, 2025 T170318
Chemical and Physical Properties
SolubilitySOLUBILITY 25MG/L,MEOH; CLEAR COLORLESS SOLUTION
SensitivityMoisture sensitive
Melt Point(°C)207-212 °C
Molecular Weight297.660 g/mol
XLogP3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass297.06 Da
Monoisotopic Mass297.06 Da
Topological Polar Surface Area112.000 Ų
Heavy Atom Count19
Formal Charge0
Complexity330.000
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 Count2
Solution Calculators
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