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4-Chloro-2-((4-methoxyanilino)methyl)phenol - ≥95% , CAS No.98591-11-8

4-Chloro-2-((4-methoxyanilino)methyl)phenol - ≥95% , CAS No.98591-11-8

Name: 4-Chloro-2-((4-methoxyanilino)methyl)phenol - ≥95% , CAS No.98591-11-8
SKU: C1277458
Availability: InStock

CAS: 98591-11-8 Cat. No.: C1277458 Formula: C₁₄H₁₄ClNO₂ Molecular Weight: 263.72 EC Number: 645-122-0 PubChem CID: 3451514

COA

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AVAILABLE TO ORDER

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

🧪

Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature 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

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

Canonical Smiles

COC1=CC=C(C=C1)NCC2=C(C=CC(=C2)Cl)O

IUPAC Name

4-chloro-2-[(4-methoxyanilino)methyl]phenol

InChIKey

FLNUSSGYUQISIQ-UHFFFAOYSA-N

INCHI

1S/C14H14ClNO2/c1-18-13-5-3-12(4-6-13)16-9-10-8-11(15)2-7-14(10)17/h2-8,16-17H,9H2,1H3

Isomeric SMILES

COC1=CC=C(C=C1)NCC2=C(C=CC(=C2)Cl)O

PubChem CID

3451514

Molecular Weight

263.72

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

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylmethylamines

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylmethylamines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylbenzamines
Alternative Parents	Methoxyanilines Aminophenyl ethers Phenylalkylamines Phenoxy compounds P-chlorophenols Methoxybenzenes Benzylamines Anisoles Secondary alkylarylamines Chlorobenzenes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylbenzamine - Methoxyaniline - Aminophenyl ether - Anisole - Benzylamine - 4-halophenol - 4-chlorophenol - Phenol ether - Aniline or substituted anilines - Phenylalkylamine - Methoxybenzene - Phenoxy compound - Secondary aliphatic/aromatic amine - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Aralkylamine - Alkyl aryl ether - Halobenzene - Aryl chloride - Aryl halide - Secondary amine - Ether - Organic oxygen compound - Organohalogen compound - Organochloride - Amine - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	263.720 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	263.071 Da
Monoisotopic Mass	263.071 Da
Topological Polar Surface Area	41.500 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	244.000
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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