Dibromoacetonitrile - analytical standard , CAS No.3252-43-5

CAS: 3252-43-5 Cat. No.: D303448 Formule: Br2CHCN Poids moléculaire: 198.85 Numéro CE: 221-843-2
DISPONIBLE À COMMANDE
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
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
Room temperature,Desiccated
Shipped In
Normal
★
Size
Allemagne (EU)
USA*
Price
Qty
250mg
D303448-250mg
Sur commande · 8–12 semaines
197,76€
1g
D303448-1g
Sur commande · 8–12 semaines
664,60€
Enter a quantity for the sizes you want to add.
🧪
Why this grade

analytical standard Étalon d'analyse for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature,Desiccated 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.

Vue d’ensemble

Dibromoacetonitrile belongs to the family of dihaloacetonitrile compounds that are volatile chlorination by-products. They are proven to be carcinogenic and mutagenic to mice.
Dibromoacetonitrile ( Br2CHCN, CAS Number: 3252-43-5) can be utilized as an analytical reference standard for the quantification of the analyte in water samples by chromatographic techniques

Specifications

Synonymes
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
Spécifications et pureté
analytical standard
Conditions de stockage de stockage
Room temperature,Desiccated
Expédié en
Normal
Grade
Étalon d'analyse
Noms et identifiants
Sourires canoniques
C(#N)C(Br)Br
IUPAC Name
2,2-dibromoacetonitrile
InChIKey
NDSBDLSWTGLNQA-UHFFFAOYSA-N
INCHI
1S/C2HBr2N/c3-2(4)1-5/h2H
Isomères SMILES
C(#N)C(Br)Br
RTECS
AL8450000
Numéro ONU
3276
Groupe d'emballage
III
Poids moléculaire
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
ClasseOrganonitrogen 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
DescriptionThis 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
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
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
Cibles associées (non humaines)
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
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
SensibilitéLight sensitive
Indice de réfractionn20/D 1.539 (lit.)
Point d'éclair (°F)133°F
Point d'éclair (°C)56°C
Point d'ébullition (°C)67-69 °C/24 mmHg (lit.)
Poids moléculaire198.840 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
Calculateurs de solution
Avis

Avis des clients

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.