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· · COA & SDS available for every product · Same-day shipping on in-stock items Barban - 1000μg/ml,in Purge and Trap Methanol , CAS No.101-27-9
GRADE & PURITY 1000μg/ml,in Purge and Trap Methanol
Synonyms
C19059 | Carbamic acid, 4-chloro-2-butynyl ester | C-847 | NCGC00166272-02 | Neoban | BRN 2376181 | Chlorinat | NSC29168 | NSC-29168 | S847 | S-847 | 33306K781F | 4-Chloro-2-butynyl-m-chlorocarbanilate | 4-Chloro-2-butynylm-chlorocarbanilate | CHEBI:33421
Shipped In
Ice chest + Ice pads,FedEx DG Service
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Why this grade 1000μg/ml,in Purge and Trap Methanol for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads,FedEx DG Service 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
C19059 | Carbamic acid, 4-chloro-2-butynyl ester | C-847 | NCGC00166272-02 | Neoban | BRN 2376181 | Chlorinat | NSC29168 | NSC-29168 | S847 | S-847 | 33306K781F | 4-Chloro-2-butynyl-m-chlorocarbanilate | 4-Chloro-2-butynylm-chlorocarbanilate | CHEBI:33421
Specifications & Purity
1000μg/ml, in Purge and Trap Methanol
Shipped In
Ice chest + Ice pads, FedEx DG Service
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles C1=CC(=CC(=C1)Cl)NC(=O)OCC#CCCl IUPAC Name 4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate InChIKey MCOQHIWZJUDQIC-UHFFFAOYSA-N INCHI 1S/C11H9Cl2NO2/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,(H,14,15) Isomeric SMILES C1=CC(=CC(=C1)Cl)NC(=O)OCC#CCCl UN Number 3077 Packing Group III Molecular Weight 258.11 Reaxy-Rn 2376181 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2376181&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 Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Phenylcarbamic acid esters Intermediate Tree Nodes Not available Direct Parent Phenylcarbamic acid esters Alternative Parents Chlorobenzenes Aryl chlorides Carbamate esters Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides Molecular Framework Aromatic homomonocyclic compounds Substituents Phenylcarbamic acid ester - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carbamic acid ester - Carbonic acid derivative - Alkyl chloride - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids. External Descriptors Carbanilate herbicides Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 75-76°C Molecular Weight 258.100 g/mol XLogP3 3.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 3 Exact Mass 257.001 Da Monoisotopic Mass 257.001 Da Topological Polar Surface Area 38.300 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 295.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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