Bromoxynil - analytical standard , CAS No.1689-84-5

CAS: 1689-84-5 Cat. No.: B135561 Peso molecular: 276.91 Beilstein Registry Number: 2364039 Número EC: 216-882-7
Disponible para pedir
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
CCRIS 2447 | DTXSID3022162 | M&B 10731 | M&B 10,064 | Tox21_301202 | Z57900367 | Brominal Triple | CHEBI:17192 | J46EK95K0P | NCGC00163844-04 | SCHEMBL19210 | AMY14593 | Q408345 | EN300-258708 | NCGC00163844-05 | S 2132 | Brittox | Brominal ME4 | 3,5-Dibr
Storage
Room temperature
Shipped In
FedEx DG Service
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
250mg
B135561-250mg
3
41,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships FedEx DG Service 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 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
CCRIS 2447 | DTXSID3022162 | M&B 10731 | M&B 10, 064 | Tox21_301202 | Z57900367 | Brominal Triple | CHEBI:17192 | J46EK95K0P | NCGC00163844-04 | SCHEMBL19210 | AMY14593 | Q408345 | EN300-258708 | NCGC00163844-05 | S 2132 | Brittox | Brominal ME4 | 3, 5-Dibr
Especificaciones y pureza
analytical standard
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
FedEx DG Service
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Grado
Analytical standard
Nombres e identificadores
Sonrisas canónicasC1=C(C=C(C(=C1Br)O)Br)C#N
IUPAC Name3,5-dibromo-4-hydroxybenzonitrile
InChIKeyUPMXNNIRAGDFEH-UHFFFAOYSA-N
INCHI1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
Isómeros SMILES C1=C(C=C(C(=C1Br)O)Br)C#N
WGK Alemania 3
RTECS DI3150000
Número ONU 2811
Grupo de embalaje I
Peso molecular 276.91
Beilstein 2364039
Reaxy-Rn 2364039
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2364039&ln=

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

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassBenzonitriles
Intermediate Tree Nodes Not available
Direct ParentBenzonitriles
Alternative Parents O-bromophenols  Bromobenzenes  Aryl bromides  Nitriles  Organopnictogen compounds  Organooxygen compounds  Organobromides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzonitrile - 2-halophenol - 2-bromophenol - Bromobenzene - Halobenzene - Phenol - Aryl bromide - Aryl halide - Nitrile - Carbonitrile - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors Nitrile herbicides
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAOA Tclin Monoamine oxidase A (11911 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RXRA Tclin Retinoid X receptor alpha (3637 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot NumberCertificate TypeFechaArticulo
B1704040Certificate of AnalysisMar 20, 2026 B135561
Propiedades químicas y físicas
Punto de fusión (°C)189-191 °C
Peso molecular276.910 g/mol
XLogP33.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass276.856 Da
Monoisotopic Mass274.858 Da
Topological Polar Surface Area44.000 Ų
Heavy Atom Count11
Formal Charge0
Complexity176.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Referencias
1. Baoqiang Hao, Yang Guo, Xueling Bai, Renyuan Zhang, Xiaoqing Li, Jing Li.  (2023)  Direct conversion of cyano group to cyanogen chloride and dichloroacetonitrile in the UV/chlorine process.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.148353]
2. Qian Yang, Yanjing Guo, He Wang, Zhi Luo, Ying Chen, Mengyun Jiang, Huan Lu, Bernal E. Valverde, Sheng Qiang, Reto Jörg Strasser, Shiguo Chen.  (2023)  Action of the fungal compound citrinin, a bioherbicide candidate, on photosystem II.  PEST MANAGEMENT SCIENCE,  80  (1): (133-148).  [PMID:37103431] [10.1002/ps.7513]
3. Yunhao Gao, Zhiyuan Zhou, Xi Chen, Yuyang Tian, Yan Li, Huachen Wang, Xuan Li, Xueyang Yu, Yongsong Cao.  (2021)  Controlled release of herbicides by 2,4-D-, MCPA-, and bromoxynil-intercalated hydrotalcite nanosheets.  GREEN CHEMISTRY,  23  (12): (4560-4566).  [PMID:] [10.1039/D1GC01349A]
4. Yunqing Wu, Yuxin Chen, Shiqin Zhang, Lizhi Zhang, Jingming Gong.  (2019)  Bifunctional S, N-Codoped carbon dots-based novel electrochemiluminescent bioassay for ultrasensitive detection of atrazine using activated mesoporous biocarbon as enzyme nanocarriers.  ANALYTICA CHIMICA ACTA,      [PMID:31146835] [10.1016/j.aca.2019.04.068]
5. Shaoyang Hu, Xiangxiang Li, Guangzhao Li, Zhigang Li, Falin He, Guang Tian, Xingchen Zhao, Rutao Liu.  (2024)  New Species and Cytotoxicity Mechanism of Halohydroxybenzonitrile Disinfection Byproducts in Drinking Water.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:39166926] [10.1021/acs.est.4c06163]
6. He Wang, Yanjing Guo, Yu Ji, Qing Liu, Qizhen Chen, Qianlong Zhang, Mingying Yang, Bernal E. Valverde, Shiguo Chen.  (2025)  Herbicidal mechanism of Isovanillic acid and computational structure-guided design of high-potency derivatives.  PEST MANAGEMENT SCIENCE,      [PMID:41414656] [10.1002/ps.70469]
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