2,4-Dichlorbenzotrichlorid - ≥98% , CAS No.13014-18-1

CAS: 13014-18-1 Cat. No.: D166882 Summenformel: C7H3Cl5 Molekulargewicht: 264.367 EG-Nummer: 235-868-1
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GRADE & PURITY ≥98%
Synonyms
.alpha.,.alpha.,2,4-Pentachlorotoluene | Benzene,4-dichloro-1-(trichloromethyl)- | DTXCID605839 | Q27257297 | W-110309 | 2,4-Dichlorobenzotrichloride | SCHEMBL1845000 | Toluene, .alpha.,.alpha.,2,4-pentachloro- | Toluene, .alpha.,.alpha.,2,
Storage
Raumtemperatur
Shipped In
Normal
★
Size
Deutschland (EU)
USA*
Price
Qty
5g
D166882-5g
—
1 Auf Lager
15,53€
25g
D166882-25g
Auf Bestellung · 8–12 Wochen
20,74€
100g
D166882-100g
Auf Bestellung · 8–12 Wochen
69,33€
500g
D166882-500g
Auf Bestellung · 8–12 Wochen
229,00€
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

Storage & shipping

Raumtemperatur 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

Synonyme
.alpha.,.alpha.,2,4-Pentachlorotoluene | Benzene,4-dichloro-1-(trichloromethyl)- | DTXCID605839 | Q27257297 | W-110309 | 2,4-Dichlorobenzotrichloride | SCHEMBL1845000 | Toluene, .alpha.,.alpha.,2,4-pentachloro- | Toluene, .alpha.,.alpha.,2,
Spezifikationen & Reinheit
≥98%
Storage
Raumtemperatur
Verschickt in
Normal
Reinheit
≥98%
Namen und Kennungen
Pubchem Sid
Kanonisches Lächeln
C1=CC(=C(C=C1Cl)Cl)C(Cl)(Cl)Cl
IUPAC Name
2,4-dichloro-1-(trichloromethyl)benzene
InChIKey
KZSNBJMYJWDVTK-UHFFFAOYSA-N
INCHI
1S/C7H3Cl5/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H
Isomere SMILES
C1=CC(=C(C=C1Cl)Cl)C(Cl)(Cl)Cl
UN-Nummer
3261
Verpackungsgruppe
I
Molekulargewicht
264.367
Reaxy-Rn
514239
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=514239&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
SubclassHalobenzenes
Intermediate Tree Nodes Chlorobenzenes
Direct ParentDichlorobenzenes
Alternative Parents Aryl chlorides  Organochlorides  Hydrocarbon derivatives  Alkyl chlorides  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents 1,3-dichlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
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GMNN Tbio Geminin (128009 Activities)
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Zugehörige Ziele (nicht menschlich)
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Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TGR Thioredoxin glutathione reductase (28579 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:

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

2 results found

Lot NumberCertificate TypeDatumArtikel
E2410112Certificate of AnalysisApr 15, 2024 D166882
E2410113Certificate of AnalysisApr 15, 2024 D166882
Chemische und physikalische Eigenschaften
LöslichkeitSoluble in Methanol
Siedepunkt (°C)159 °C/20 mmHg
Schmelzpunkt (°C)49 °C
Molekulargewicht264.400 g/mol
XLogP35.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass263.865 Da
Monoisotopic Mass261.868 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count12
Formal Charge0
Complexity152.000
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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