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Brombuterol , CAS No.41937-02-4

Brombuterol , CAS No.41937-02-4

Name: Brombuterol , CAS No.41937-02-4
SKU: B1366534
Availability: InStock

CAS: 41937-02-4 Cat. No.: B1366534 Formula: C₁₂H₁₈Br₂N₂O Molecular Weight: 366.09 PubChem CID: 3084849

COA

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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

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Why this grade

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

Storage

Room temperature

Shipped In

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Names and Identifiers

Canonical Smiles	CC(C)(C)NCC(C1=CC(=C(C(=C1)Br)N)Br)O
IUPAC Name	1-(4-amino-3,5-dibromophenyl)-2-(tert-butylamino)ethanol
InChIKey	PLFUBWPEUSILSL-UHFFFAOYSA-N
INCHI	1S/C12H18Br2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3
Isomeric SMILES	CC(C)(C)NCC(C1=CC(=C(C(=C1)Br)N)Br)O
Alternate CAS	41937-02-4
PubChem CID	3084849
MeSH Entry Terms	brombuterol;brombuterol monohydrochloride;bromobuterol
Molecular Weight	366.09

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

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Aniline and substituted anilines
Intermediate Tree Nodes	Not available
Direct Parent	2-bromoanilines
Alternative Parents	Bromobenzenes Aralkylamines Aryl bromides Secondary alcohols 1,2-aminoalcohols Dialkylamines Primary amines Organopnictogen compounds Organobromides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	2-bromoaniline - Bromobenzene - Aralkylamine - Halobenzene - Aryl bromide - Aryl halide - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Primary amine - Aromatic alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Alcohol - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2-bromoanilines. These are organic compounds that contain an aniline carrying a bromine atom at the C2-position.
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	366.090 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	365.977 Da
Monoisotopic Mass	363.979 Da
Topological Polar Surface Area	58.300 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	233.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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