Dibromoacetonitrilo - ≥97% , CAS No.3252-43-5

CAS: 3252-43-5 Cat. No.: D303447 Fórmula: Br2CHCN Peso molecular: 198.85 Número EC: 221-843-2
Disponible para pedir
GRADE & PURITY ≥97%
Synonyms
Acetonitrile, dibromo- | DIBROMOACETONITRILE [IARC] | InChI=1/C2HBr2N/c3-2(4)1-5/h2 | NCGC00259868-01 | AKOS006220481 | Tox21_202319 | NCGC00091424-02 | HSDB 6862 | VGJ91H57XU | Dibromoacetonitrile, 95% | F72770 | HMS3039B03 | CAS-3252-43-5 | C19396 | Q27
Storage
Temperatura ambiente,Desecado
Shipped In
Normal
★
Size
Alemania (EU)
USA*
Price
Qty
5g
D303447-5g
—
7 Disponible

14,66€

22,47€
Guardar 7,81 € (34.75%)
25g
D303447-25g
—
7 Disponible

44,17€

66,73€
Guardar 22,56 € (33.81%)
100g
D303447-100g
—
1 Disponible

141,35€

212,51€
Guardar 71,15 € (33.48%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Temperatura ambiente,Desecado 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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

El dibromoacetonitrilo pertenece a la familia de los compuestos de dihaloacetonitrilo que son subproductos volátiles de la cloración. Se ha demostrado que son cancerígenos y mutágenos para los ratones.
El dibromoacetonitrilo ( Br2CHCN, número CAS: 3252-43-5) puede utilizarse como patrón de referencia analítico para la cuantificación del analito en muestras de agua mediante técnicas cromatográficas

Specifications

Sinónimos
Acetonitrile, dibromo- | DIBROMOACETONITRILE [IARC] | InChI=1/C2HBr2N/c3-2(4)1-5/h2 | NCGC00259868-01 | AKOS006220481 | Tox21_202319 | NCGC00091424-02 | HSDB 6862 | VGJ91H57XU | Dibromoacetonitrile, 95% | F72770 | HMS3039B03 | CAS-3252-43-5 | C19396 | Q27
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Temperatura ambiente,Desecado
Enviado en
Normal
Pureza
≥97%
Nombres e identificadores
Pubchem Sid488182493
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488182493
Sonrisas canónicasC(#N)C(Br)Br
IUPAC Name2,2-dibromoacetonitrile
InChIKeyNDSBDLSWTGLNQA-UHFFFAOYSA-N
INCHI1S/C2HBr2N/c3-2(4)1-5/h2H
Isómeros SMILES C(#N)C(Br)Br
RTECS AL8450000
Número ONU 3276
Grupo de embalaje III
Peso molecular 198.85
Reaxy-Rn 1739037
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1739037&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
SuperclassOrganic nitrogen compounds
ClaseOrganonitrogen compounds
SubclassOrganic cyanides
Intermediate Tree Nodes Not available
Direct ParentNitriles
Alternative Parents Organopnictogen compounds  Organobromides  Hydrocarbon derivatives  Alkyl bromides  
Molecular FrameworkAliphatic acyclic compounds
Substituents Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
DescripciónThis compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
External Descriptors aliphatic nitrile
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lymphoblastoid cell (5959 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TGR Thioredoxin glutathione reductase (28579 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 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.

10 results found

Lot NumberCertificate TypeFechaArticulo
D2624023Certificate of AnalysisMay 07, 2026 D303447
G2306048Certificate of AnalysisApr 07, 2026 D303447
G2306062Certificate of AnalysisApr 07, 2026 D303447
K2129108Certificate of AnalysisSep 12, 2024 D303447
K2129285Certificate of AnalysisSep 12, 2024 D303447
K2129286Certificate of AnalysisSep 12, 2024 D303447
G2110001Certificate of AnalysisMay 17, 2024 D303447
G2110002Certificate of AnalysisMay 17, 2024 D303447
G2110003Certificate of AnalysisMay 17, 2024 D303447
D2412067Certificate of AnalysisDec 06, 2021 D303447
Propiedades químicas y físicas
SensibilidadLight sensitive
Índice de refracciónn20/D 1.539 (lit.)
Punto de inflamación (°F)133°F
Punto de inflamación (°C)56°C
Punto de ebullición (°C)67-69 °C/24 mmHg (lit.)
Peso molecular198.840 g/mol
XLogP31.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass198.846 Da
Monoisotopic Mass196.848 Da
Topological Polar Surface Area23.800 Ų
Heavy Atom Count5
Formal Charge0
Complexity59.300
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. Jiaben Zhong, Hangyan Zhang, Yina Cai, Xiuping Chen, Zhiyuan Fang, Dun Deng.  (2023)  Rapid and visual detection of dichloroacetonitrile in water.  ANALYST,  148  (21): (5390-5394).  [PMID:37750310] [10.1039/D3AN01282D]
2. Zhen Pang, Peifeng Zhang, Xinyi Chen, Feilong Dong, Jing Deng, Cong Li, Junping Liu, Xiaoyan Ma, Andrea M. Dietrich.  (2022)  Occurrence and modeling of disinfection byproducts in distributed water of a megacity in China: Implications for human health.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:35926603] [10.1016/j.scitotenv.2022.157674]
3. Feilong Dong, Zhen Pang, Jianquan Yu, Jing Deng, Xueyan Li, Xiaoyan Ma, Andrea M. Dietrich, Yang Deng.  (2021)  Spatio-temporal variability of halogenated disinfection by-products in a large-scale two-source water distribution system with enhanced chlorination.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:34523488] [10.1016/j.jhazmat.2021.127113]
4. Qian-Yuan Wu, Lu-Lin Yang, Xin-Yang Zhang, Wen-Long Wang, Yao Lu, Ye Du, Yun Lu, Hong-Ying Hu.  (2020)  Ammonia-Mediated Bromate Inhibition during Ozonation Promotes the Toxicity Due to Organic Byproduct Transformation.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:32598842] [10.1021/acs.est.0c02984]
5. Feilong Dong, Jiaqi Liu, Cong Li, Qiufeng Lin, Tuqiao Zhang, Kejia Zhang, Virender K. Sharma.  (2019)  Ferrate(VI) pre-treatment and subsequent chlorination of blue-green algae: Quantification of disinfection byproducts.  ENVIRONMENT INTERNATIONAL,      [PMID:31654918] [10.1016/j.envint.2019.105195]
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