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

CAS: 1967-16-4 Cat. No.: C114993 Molecular Weight: 223.66 Beilstein Registry Number: 4429630 EC Number: 217-815-4
AVAILABLE TO ORDER
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
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Size
Status
Price
Qty
250mg
C114993-250mg
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Why this grade

analytical standard Analytical 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

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
Specifications & Purity
analytical standard
Storage
Room temperature
Shipped In
Normal
Grade
Analytical standard
Names and Identifiers
Canonical SmilesCC(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)
Isomeric SMILES CC(C#C)OC(=O)NC1=CC(=CC=C1)Cl
WGK Germany 2
RTECS FD8575000
UN Number 3077
Molecular Weight 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.

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✅ 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
ClassBenzene 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
DescriptionThis 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 Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Rorc Nuclear receptor ROR-gamma (89407 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:
Chemical and Physical Properties
Molecular Weight223.650 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
Solution Calculators
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