1H-imidazole-2-carbonitrile - ≥97% , CAS No.31722-49-3

CAS: 31722-49-3 Cat. No.: H176109 Molecular Weight: 93.09 EC Number: 869-630-9
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
AS-59022 | FT-0648221 | DTXSID30340406 | PB17552 | A820962 | AKOS006237410 | cyanoimidazole | EN300-102606 | Z1198180312 | MFCD08668415 | Imidazole, 2-cyano- | 1H-Imidazol-2-carbonitrile | PD193810 | 1H-Imidazole-2-carbonitrile # | 1H-Imidazole-2-carbonit
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
250mg
H176109-250mg
2

$16.90

$25.90
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1g
H176109-1g
2

$50.90

$76.90
Save $26.00 (33.81%)
5g
H176109-5g
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$248.90

$373.90
Save $125.00 (33.43%)
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Why this grade

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

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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.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
AS-59022 | FT-0648221 | DTXSID30340406 | PB17552 | A820962 | AKOS006237410 | cyanoimidazole | EN300-102606 | Z1198180312 | MFCD08668415 | Imidazole, 2-cyano- | 1H-Imidazol-2-carbonitrile | PD193810 | 1H-Imidazole-2-carbonitrile # | 1H-Imidazole-2-carbonit
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Canonical SmilesC1=CN=C(N1)C#N
IUPAC Name1H-imidazole-2-carbonitrile
InChIKeyQMQZIXCNLUPEIN-UHFFFAOYSA-N
INCHI1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)
Isomeric SMILES C1=CN=C(N1)C#N
Alternate CAS 1392803-62-1
Molecular Weight 93.09
Reaxy-Rn 742118
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742118&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.

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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

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassAzoles
SubclassImidazoles
Intermediate Tree Nodes Not available
Direct ParentImidazoles
Alternative Parents Heteroaromatic compounds  Nitriles  Azacyclic compounds  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Heteroaromatic compound - Imidazole - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as imidazoles. These are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





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.

3 results found

Lot NumberCertificate TypeDateItem
J2522673Certificate of AnalysisAug 23, 2025 H176109
J2522674Certificate of AnalysisAug 23, 2025 H176109
J2522682Certificate of AnalysisAug 23, 2025 H176109
Chemical and Physical Properties
Molecular Weight93.090 g/mol
XLogP30.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass93.0327 Da
Monoisotopic Mass93.0327 Da
Topological Polar Surface Area52.500 Ų
Heavy Atom Count7
Formal Charge0
Complexity101.000
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
Solution Calculators
Reviews

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