3-Chloro-4-(trifluoromethylthio)aniline - Reagent grade , CAS No.64628-74-6

CAS: 64628-74-6 Cat. No.: C479306 Peso molecular: 227.63 Número EC: 671-659-5
Disponible para pedir
GRADE & PURITY Reagent Grade ? General reagent-grade purity suitable for most laboratory work. Use as a dependable default when no specific higher grade is required.
Synonyms
3-chloro-4-trifluoromethylsulfanyl-phenylamine | D73301 | AS-65230 | EN300-746414 | 3-Chloro-4-((trifluoromethyl)thio)aniline | 3-Chloro-4-(trifluoromethylthio)aniline, 97% | Benzenamine,3-chloro-4-[(trifluoromethyl)thio]- | SCHEMBL1403756 | 3-chloranyl-4
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
100mg
C479306-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
57,90US$
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Why this grade

Reagent grade Reagent Grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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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

Sinónimos
3-chloro-4-trifluoromethylsulfanyl-phenylamine | D73301 | AS-65230 | EN300-746414 | 3-Chloro-4-((trifluoromethyl)thio)aniline | 3-Chloro-4-(trifluoromethylthio)aniline, 97% | Benzenamine, 3-chloro-4-[(trifluoromethyl)thio]- | SCHEMBL1403756 | 3-chloranyl-4
Especificaciones y pureza
Reagent grade
Condiciones de almacenamiento de almacenamiento
Room temperature
Grado
Reagent Grade
Nombres e identificadores
Sonrisas canónicasC1=CC(=C(C=C1N)Cl)SC(F)(F)F
IUPAC Name3-chloro-4-(trifluoromethylsulfanyl)aniline
InChIKeyBLOPJEJSRKMVSU-UHFFFAOYSA-N
INCHI1S/C7H5ClF3NS/c8-5-3-4(12)1-2-6(5)13-7(9,10)11/h1-3H,12H2
Isómeros SMILES C1=CC(=C(C=C1N)Cl)SC(F)(F)F
Peso molecular 227.63
Reaxy-Rn 6314200
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6314200&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
SuperclassOrganosulfur compounds
ClaseThioethers
SubclassAryl thioethers
Intermediate Tree Nodes Not available
Direct ParentAryl thioethers
Alternative Parents Thiophenol ethers  Aniline and substituted anilines  Chlorobenzenes  Alkylarylthioethers  Aryl chlorides  Trihalomethanes  Sulfenyl compounds  Primary amines  Organopnictogen compounds  Organofluorides  Organochlorides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Aryl thioether - Thiophenol ether - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Trihalomethane - Sulfenyl compound - Primary amine - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Halomethane - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Punto de fusión (°C)41-43
Peso molecular227.640 g/mol
XLogP33.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass226.978 Da
Monoisotopic Mass226.978 Da
Topological Polar Surface Area51.300 Ų
Heavy Atom Count13
Formal Charge0
Complexity176.000
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
Preguntas frecuentes y artículos
Calculadoras de soluciones
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