Pentabromophenol - ≥95% , CAS No.608-71-9

CAS: 608-71-9 Cat. No.: P352405 Peso molecular: 488.62 Número EC: 210-167-3 PubChem CID: 11852

2 Citations COA

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Pentabromophenol - ≥95% CAS No(608-71-9) by Aladdin Scientific

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Disponible para pedir

GRADE & PURITY ≥95%

Synonyms

AS-13066 | EINECS 210-167-3 | SY317359 | 4-n-Butylbenzoicacid | CAS-608-71-9 | A832934 | NCGC00257893-01 | Pentabromfenol | FT-0739390 | NCGC00090884-02 | 2,3,4,5,6-Pentabromophenol | SMR001224527 | MFCD00002147 | Q27094104 | PBR | 3-06-00-00766 (Beilstei

Storage

Room temperature

Shipped In

Normal

Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Citations of This Product Referencias Calculadoras de soluciones Reseñas

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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.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos

AS-13066 | EINECS 210-167-3 | SY317359 | 4-n-Butylbenzoicacid | CAS-608-71-9 | A832934 | NCGC00257893-01 | Pentabromfenol | FT-0739390 | NCGC00090884-02 | 2, 3, 4, 5, 6-Pentabromophenol | SMR001224527 | MFCD00002147 | Q27094104 | PBR | 3-06-00-00766 (Beilstei

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Pubchem Sid	488181451
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181451
Sonrisas canónicas	C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)O
IUPAC Name	2,3,4,5,6-pentabromophenol
InChIKey	SVHOVVJFOWGYJO-UHFFFAOYSA-N
INCHI	1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
Isómeros SMILES	C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)O
PubChem CID	11852
Número ONU	2811
Grupo de embalaje	I
Peso molecular	488.62

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
  - Clase Phenols
    - Subclass Halophenols
      - Level5 Bromophenols
        Level6 P-bromophenols

Kingdom	Organic compounds
Superclass	Benzenoids
Clase	Phenols
Subclass	Halophenols
Intermediate Tree Nodes	Bromophenols
Direct Parent	P-bromophenols
Alternative Parents	O-bromophenols M-bromophenols Bromobenzenes Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	4-bromophenol - 2-bromophenol - 3-bromophenol - Halobenzene - Bromobenzene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as p-bromophenols. These are bromophenols carrying a iodine at the C4 position of the benzene ring.
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

Estructura 3D

Objetivos asociados (humanos)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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VDR Tclin Vitamin D receptor (26531 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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CXCL8 Tchem Interleukin-8 (642 Activities)

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PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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FASN Tchem Fatty acid synthase (3390 Activities)

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

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HepG2 (196354 Activities)

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Lymphoblastoid cell (5959 Activities)

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FEN1 Tchem Flap endonuclease 1 (12055 Activities)

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HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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POLH Tchem DNA polymerase eta (21678 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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SNCA Tchem Alpha-synuclein (10960 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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GMNN Tbio Geminin (128009 Activities)

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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RAPGEF3 Tchem Rap guanine nucleotide exchange factor 3 (15528 Activities)

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RAPGEF4 Tchem Rap guanine nucleotide exchange factor 4 (11476 Activities)

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Objetivos asociados (no humanos)

Cruzipain (33337 Activities)

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Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Plasmodium falciparum (966862 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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TGR Thioredoxin glutathione reductase (28579 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Phosphoglycerate kinase, glycosomal (2184 Activities)

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Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

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vpr Aberrant vpr protein (14595 Activities)

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Mecanismos de acción

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Fecha	Articulo
B23221182	Certificate of Analysis	Dec 22, 2025	P352405
B23221166	Certificate of Analysis	Dec 22, 2025	P352405
B2323300	Certificate of Analysis	Dec 22, 2025	P352405
A2515101	Certificate of Analysis	Nov 22, 2022	P352405
C2413066	Certificate of Analysis	Nov 22, 2022	P352405

Propiedades químicas y físicas

Solubilidad	SolubilityChloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Punto de ebullición (°C)	352 sublimes
Punto de fusión (°C)	223-226 °C (lit.)
Peso molecular	488.590 g/mol
XLogP3	5.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	487.59 Da
Monoisotopic Mass	483.594 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	150.000
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

Citations of This Product

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Referencias

1. Rui Hou, Siqi Zhang, Qianyi Huang, Lang Lin, Hengxiang Li, Jingxi Li, Shan Liu, Chengjun Sun, Xiangrong Xu. (2023) Role of Gastrointestinal Microbiota from Crucian Carp in Microbial Transformation and Estrogenicity Modification of Novel Plastic Additives. ENVIRONMENTAL SCIENCE & TECHNOLOGY, [PMID:37462611] [10.1021/acs.est.3c03595]
2. Meng Tian, Jing Qian, Jiawei Hou, Yadi Bai, Hai-Ying Jiang, Jingyun Ren. (2022) Promotion effect of free Ag+ ions on photocatalytic dechlorination processes. Catalysis Science & Technology, 12 (10): (3209-3218). [PMID:] [10.1039/D1CY02210E]

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Pentabromophenol - ≥95% , CAS No.608-71-9

Why this grade

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Reseñas de cliente

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