Bromoacetonitrile - ≥97% , CAS No.590-17-0

CAS: 590-17-0 Cat. No.: B104455 Formula: C2H2NBr Molecular Weight: 119.95 Beilstein Registry Number: 956569 EC Number: 209-672-1
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
J-519939 | Cyanomethyl bromide | InChI=1/C2H2BrN/c3-1-2-4/h1H | 07K08J16VK | 2-Bromoacetonitrile; Bromoacetonitrile; Bromomethyl cyanide | BROMOACETONITRILE | bromo-acetonitrile | AS-12053 | AMY21970 | B1058 | Bromoacetonitrile, 97% | 4-02-00-00531 (Beils
Storage
Store at 2-8°C,Protected from light,Argon charged
Shipped In
Wet ice
★
Size
USA
Germany (EU)*
Price
Qty
5g
B104455-5g
In stock ≥10
—
$9.90
25g
B104455-25g
In stock ≥10
—
$10.90
100g
B104455-100g
6 In stock
—

$30.90

$46.90
Save $16.00 (34.12%)
500g
B104455-500g
4 In stock
—

$115.90

$173.90
Save $58.00 (33.35%)
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

Store at 2-8°C,Protected from light,Argon charged Ships Wet ice 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 9 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Bromoacetonitrile was used in the synthesis of 1-cyanomethyl-1,1-dimethylhydrazinium bromide.

Specifications

Synonyms
J-519939 | Cyanomethyl bromide | InChI=1/C2H2BrN/c3-1-2-4/h1H | 07K08J16VK | 2-Bromoacetonitrile; Bromoacetonitrile; Bromomethyl cyanide | BROMOACETONITRILE | bromo-acetonitrile | AS-12053 | AMY21970 | B1058 | Bromoacetonitrile, 97% | 4-02-00-00531 (Beils
Specifications & Purity
≥97%
Storage
Store at 2-8°C,Protected from light,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Names and Identifiers
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/508814521
Canonical Smiles
C(C#N)Br
IUPAC Name
2-bromoacetonitrile
InChIKey
REXUYBKPWIPONM-UHFFFAOYSA-N
INCHI
1S/C2H2BrN/c3-1-2-4/h1H2
Isomeric SMILES
C(C#N)Br
WGK Germany
3
RTECS
AL7970000
UN Number
3276
Packing Group
I
Molecular Weight
119.95
Beilstein
956569
Reaxy-Rn
956569
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=956569&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
ClassOrganonitrogen 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 Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
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.

13 results found

Lot NumberCertificate TypeDateItem
F2626062Certificate of AnalysisJul 08, 2026 B104455
J2522146Certificate of AnalysisNov 03, 2025 B104455
A1809020Certificate of AnalysisFeb 08, 2025 B104455
J1923182Certificate of AnalysisFeb 08, 2025 B104455
H2014359Certificate of AnalysisMar 05, 2024 B104455
H2014360Certificate of AnalysisMar 05, 2024 B104455
H1821034Certificate of AnalysisApr 25, 2022 B104455
D2010014Certificate of AnalysisFeb 18, 2022 B104455
B2225498Certificate of AnalysisJan 07, 2022 B104455
B2225502Certificate of AnalysisJan 07, 2022 B104455
B2225544Certificate of AnalysisJan 07, 2022 B104455
B2225549Certificate of AnalysisJan 07, 2022 B104455
H2201061Certificate of AnalysisJan 07, 2022 B104455
Chemical and Physical Properties
SolubilityInsoluble in water.
SensitivityLight sensitive.;Moisture sensitive
Refractive Index1.4786-1.4806
Flash Point(°F)230 °F
Flash Point(°C)>110°C
Boil Point(°C)150 °C
Molecular Weight119.950 g/mol
XLogP30.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass118.937 Da
Monoisotopic Mass118.937 Da
Topological Polar Surface Area23.800 Ų
Heavy Atom Count4
Formal Charge0
Complexity41.200
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
Documents & Articles
Citations of This Product
Solution Calculators
Reviews

Customer Reviews

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