1-tert-Butylimidazole - ≥98%(GC) , CAS No.45676-04-8

CAS: 45676-04-8 Cat. No.: T161880 Molecular Weight: 124.19 EC Number: 812-053-4 PubChem CID: 142665
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GRADE & PURITY ≥98%(GC)
Synonyms
1-t-Butylimidazole | AMQKPABOPFXDQM-UHFFFAOYSA-N | AB92402 | B4985 | SY055257 | AKOS016004673 | SCHEMBL179249 | 1-tert-Butyl-1H-imidazole | 1-(tert-Butyl)-1H-imidazole | VBA67604 | 1-tertButylimidazole | 1-tert-butylimidazole | BL004043 | AS-45760 | DTXSI
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
T161880-1g
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$33.90

$50.90
Save $17.00 (33.40%)
5g
T161880-5g
3

$102.90

$154.90
Save $52.00 (33.57%)
25g
T161880-25g
2

$315.90

$473.90
Save $158.00 (33.34%)
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Why this grade

≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

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.

📚

Literature proof

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

Specifications

Synonyms
1-t-Butylimidazole | AMQKPABOPFXDQM-UHFFFAOYSA-N | AB92402 | B4985 | SY055257 | AKOS016004673 | SCHEMBL179249 | 1-tert-Butyl-1H-imidazole | 1-(tert-Butyl)-1H-imidazole | VBA67604 | 1-tertButylimidazole | 1-tert-butylimidazole | BL004043 | AS-45760 | DTXSI
Specifications & Purity
≥98%(GC)
Storage
Room temperature
Shipped In
Normal
Purity
≥98%(GC)
Names and Identifiers
Pubchem Sid488188147
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488188147
Canonical SmilesCC(C)(C)N1C=CN=C1
IUPAC Name1-tert-butylimidazole
InChIKeyAMQKPABOPFXDQM-UHFFFAOYSA-N
INCHI1S/C7H12N2/c1-7(2,3)9-5-4-8-6-9/h4-6H,1-3H3
Isomeric SMILES CC(C)(C)N1C=CN=C1
PubChem CID 142665
Molecular Weight 124.19
Reaxy-Rn 906929

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
SuperclassOrganoheterocyclic compounds
ClassAzoles
SubclassImidazoles
Intermediate Tree Nodes Substituted imidazoles
Direct ParentN-substituted imidazoles
Alternative Parents Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents N-substituted imidazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





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.

5 results found

Lot NumberCertificate TypeDateItem
G1805082Certificate of AnalysisFeb 05, 2026 T161880
D2306799Certificate of AnalysisMar 23, 2023 T161880
D2306800Certificate of AnalysisMar 23, 2023 T161880
D2306915Certificate of AnalysisMar 23, 2023 T161880
D2306973Certificate of AnalysisMar 23, 2023 T161880
Chemical and Physical Properties
SensitivityAir Sensitive
Refractive Index1.48
Flash Point(°C)86 °C
Boil Point(°C)105°C/12mmHg(lit.)
Molecular Weight124.180 g/mol
XLogP30.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass124.1 Da
Monoisotopic Mass124.1 Da
Topological Polar Surface Area17.800 Ų
Heavy Atom Count9
Formal Charge0
Complexity93.600
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
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