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3-Hydroxybenzo(a)pyrene - ≥95% , CAS No.13345-21-6

3-Hydroxybenzo(a)pyrene - ≥95% , CAS No.13345-21-6

Name: 3-Hydroxybenzo(a)pyrene - ≥95% , CAS No.13345-21-6
SKU: H1365129
Availability: InStock

CAS: 13345-21-6 Cat. No.: H1365129 PubChem CID: 25890

COA

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Disponível para encomenda

GRADE & PURITY ≥95%

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

≥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

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

Sorrisos canónicos	C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C(C=CC(=C54)C=C3)O
IUPAC Name	benzo[a]pyren-3-ol
InChIKey	SPUUWWRWIAEPDB-UHFFFAOYSA-N
INCHI	1S/C20H12O/c21-18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11,21H
SMILES isoméricas	C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C(C=CC(=C54)C=C3)O
CAS alternativo	13345-21-6
PubChem CID	25890
Termos de entrada MeSH	3-hydroxybenzo(a)pyrene;3-hydroxybenzo(a)pyrene, 3H-labeled;3-OH-BaP;3-OH-BP;benzo(a)pyren-3-ol

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
  - Classe Pyrenes
    - Subclass Benzopyrenes

Kingdom	Organic compounds
Superclass	Benzenoids
Classe	Pyrenes
Subclass	Benzopyrenes
Intermediate Tree Nodes	Not available
Direct Parent	Benzopyrenes
Alternative Parents	Chrysenes Phenanthrols Anthracenes Naphthols and derivatives 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Benzo-a-pyrene - Chrysene - Phenanthrol - Phenanthrene - Anthracene - 1-naphthol - 2-naphthol - 1-hydroxy-2-unsubstituted benzenoid - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
Descrição	This compound belongs to the class of organic compounds known as benzopyrenes. These are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system.
External Descriptors	ortho- and peri-fused polycyclic arene
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	268.300 g/mol
XLogP3	5.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	268.089 Da
Monoisotopic Mass	268.089 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	405.000
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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Revisões

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