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Química e Bioquímica
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CID 45791424 - ≥97% , CAS No.1181458-57-0

CID 45791424 - ≥97% , CAS No.1181458-57-0

Name: CID 45791424 - ≥97% , CAS No.1181458-57-0
SKU: C1306245
Availability: InStock

CAS: 1181458-57-0 Cat. No.: C1306245 Fórmula: C₉H₁₀NOC•HCl Peso molecular: 220.09 Número CE: 840-828-7 PubChem CID: 45791424

COA

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Disponível para encomenda

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications Nomes e identificadores Documentation Advanced Data Taxonomic Classification Estrutura 3D Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Calculadoras de soluções Revisões

🧪

Why this grade

≥97% 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

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos	C1COC2=C(CN1)C=C(C=C2)Cl.Cl
IUPAC Name	7-chloro-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride
InChIKey	ZUROSDIVHGLHRJ-UHFFFAOYSA-N
INCHI	1S/C9H10ClNO.ClH/c10-8-1-2-9-7(5-8)6-11-3-4-12-9;/h1-2,5,11H,3-4,6H2;1H
SMILES isoméricas	C1COC2=C(CN1)C=C(C=C2)Cl.Cl
PubChem CID	45791424
Peso molecular	220.09

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 Organoheterocyclic compounds
  - Classe Benzoxazepines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Classe	Benzoxazepines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzoxazepines
Alternative Parents	Aralkylamines Alkyl aryl ethers Benzenoids Aryl chlorides Oxacyclic compounds Dialkylamines Azacyclic compounds Organochlorides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzoxazepine - Alkyl aryl ether - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - Oxacycle - Azacycle - Secondary amine - Secondary aliphatic amine - Ether - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Descrição	This compound belongs to the class of organic compounds known as benzoxazepines. These are organic compounds containing a benzene fused to an oxazepine ring (a seven-membered ring with four carbon atoms, one oxygen atom, and a nitrogen atom).
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

Estrutura 3D

Certificados（CoA,COO,BSE/TSE e Mapa de Análise)

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

Analytical Chart:

Propriedades químicas e físicas

Peso molecular	220.090 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	219.022 Da
Monoisotopic Mass	219.022 Da
Topological Polar Surface Area	21.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	153.000
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	2

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Revisões

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