Chlorbufam - analytical standard , CAS No.1967-16-4

CAS: 1967-16-4 Cat. No.: C114993 Summenformel: C11H10ClNO2 Molekulargewicht: 223.66 Beilstein Registry Number: 4429630 EG-Nummer: 217-815-4
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GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
3-Butyn-2-ol, m-chlorocarbanilate | Caswell No. 575A | BIPC | EINECS 217-815-4 | 1-Methyl-2-propynyl m-chlorocarbanilate | CHLORBUPHAM [HSDB] | UNII-65W9D7691G | 65W9D7691G | DTXSID6041769 | Carbamic acid, (3-chlorophenyl)-, 1-methyl-2-propynyl ester | Gr
Storage
Room temperature
Shipped In
Normal
Size
Deutschland (EU)
USA*
Price
Qty
250mg
C114993-250mg
Auf Bestellung · 8–12 Wochen

185,61€

216,85€
Speichern 31,24 € (14.41%)
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Why this grade

analytical standard Analytischer Standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

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

Synonyme
3-Butyn-2-ol, m-chlorocarbanilate | Caswell No. 575A | BIPC | EINECS 217-815-4 | 1-Methyl-2-propynyl m-chlorocarbanilate | CHLORBUPHAM [HSDB] | UNII-65W9D7691G | 65W9D7691G | DTXSID6041769 | Carbamic acid, (3-chlorophenyl)-, 1-methyl-2-propynyl ester | Gr
Spezifikationen & Reinheit
analytical standard
Storage
Room temperature
Verschickt in
Normal
Note
Analytischer Standard
Namen und Kennungen
Kanonisches LächelnCC(C#C)OC(=O)NC1=CC(=CC=C1)Cl
IUPAC Namebut-3-yn-2-yl N-(3-chlorophenyl)carbamate
InChIKeyULBXWWGWDPVHAO-UHFFFAOYSA-N
INCHI1S/C11H10ClNO2/c1-3-8(2)15-11(14)13-10-6-4-5-9(12)7-10/h1,4-8H,2H3,(H,13,14)
Isomere SMILES CC(C#C)OC(=O)NC1=CC(=CC=C1)Cl
WGK Deutschland 2
RTECS FD8575000
UN-Nummer 3077
Molekulargewicht 223.66
Beilstein 4429630
Reaxy-Rn 4429630
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4429630&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
KlasseBenzene and substituted derivatives
SubclassHalobenzenes
Intermediate Tree Nodes Not available
Direct ParentChlorobenzenes
Alternative Parents Aryl chlorides  Propargyl-type 1,3-dipolar organic compounds  Carboximidic acids and derivatives  Acetylides  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Chlorobenzene - Aryl chloride - Aryl halide - Carboximidic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Acetylide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
External Descriptors Carbanilate herbicides
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zugehörige Ziele (nicht menschlich)
Rorc Nuclear receptor ROR-gamma (89407 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
Molekulargewicht223.650 g/mol
XLogP33.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass223.04 Da
Monoisotopic Mass223.04 Da
Topological Polar Surface Area38.300 Ų
Heavy Atom Count15
Formal Charge0
Complexity271.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
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