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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-((tert-Butoxycarbonyl)amino)-4-chlorobenzoic acid - ≥97% , CAS No.136290-47-6
Synonyms
136290-47-6|2-((tert-Butoxycarbonyl)amino)-4-chlorobenzoic acid|n-boc-4-chloroanthranilic acid|2-tert-Butoxycarbonylamino-4-chloro-benzoic acid|2-tert-butoxycarbonylamino-4-chlorobenzoic acid|4-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic Acid|
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Why this grade ≥97% 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
136290-47-6 | 2-((tert-Butoxycarbonyl)amino)-4-chlorobenzoic acid | n-boc-4-chloroanthranilic acid | 2-tert-Butoxycarbonylamino-4-chloro-benzoic acid | 2-tert-butoxycarbonylamino-4-chlorobenzoic acid | 4-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic Acid |
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles CC(C)(C)OC(=O)NC1=C(C=CC(=C1)Cl)C(=O)O IUPAC Name 4-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid InChIKey PJFHAVFRBIRVQD-UHFFFAOYSA-N INCHI 1S/C12H14ClNO4/c1-12(2,3)18-11(17)14-9-6-7(13)4-5-8(9)10(15)16/h4-6H,1-3H3,(H,14,17)(H,15,16) Isomeric SMILES CC(C)(C)OC(=O)NC1=C(C=CC(=C1)Cl)C(=O)O PubChem CID 2757208 Molecular Weight 271.7
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 4-halobenzoic acids Halobenzoic acids Benzoic acids Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous amides Carbamate esters Organic carbonic acids and derivatives Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organopnictogen compounds Organochlorides Organonitrogen compounds Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Phenylcarbamic acid ester - Halobenzoic acid - 4-halobenzoic acid - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous amide - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organochloride - Organohalogen compound - 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 Not available 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 271.690 g/mol XLogP3 3.200 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 4 Exact Mass 271.061 Da Monoisotopic Mass 271.061 Da Topological Polar Surface Area 75.600 Ų Heavy Atom Count 18 Formal Charge 0 Complexity 327.000 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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