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Isopropyl 1H-imidazole-1-carboxylate - 95%, high purity , CAS No.82998-18-3

COA

Grade & Purity:

≥95%

Cas Number: 82998-18-3
Molecular Weight: 154.17
MDL number: MFCD21336269
PubChem CID: 537559
PubChem SID: 488190182

In stock

Item Number

I467426

Grouped product items
SKU	Size	Availability	Price
I467426-1g	1g	5	$20.90
I467426-5g	5g	5	$84.90
I467426-25g	25g	2	$287.90

Basic Description

Synonyms	1H-Imidazolecarboxylic acid-, (1-methylethyl) ester \| Isopropyl 1H-imidazole-1-carboxylate \| Isopropyl 1H-imidazole-1-carboxylate # \| Isopropyl 1H-imidazole-1-carboxylate, 95% \| SCHEMBL2451086 \| propan-2-yl imidazole-1-carboxylate \| F71522 \| Imidazole-1-c
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Imidazoles
      - Level5 Substituted imidazoles
        Level6 Carbonylimidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Substituted imidazoles
Direct Parent	Carbonylimidazoles
Alternative Parents	N-substituted imidazoles Heteroaromatic compounds Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Imidazole-1-carbonyl group - N-substituted imidazole - Heteroaromatic compound - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as carbonylimidazoles. These are substituted imidazoles in which the imidazole ring bears a carbonyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488190182
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488190182
IUPAC Name	propan-2-yl imidazole-1-carboxylate
INCHI	InChI=1S/C7H10N2O2/c1-6(2)11-7(10)9-4-3-8-5-9/h3-6H,1-2H3
InChIKey	UAILNBAKJABHNQ-UHFFFAOYSA-N
Smiles	CC(C)OC(=O)N1C=CN=C1
Isomeric SMILES	CC(C)OC(=O)N1C=CN=C1
WGK Germany	3
Molecular Weight	154.17
Reaxy-Rn	4387378
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4387378&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
C2315556	Certificate of Analysis	Feb 15, 2023	I467426
C2314180	Certificate of Analysis	Feb 15, 2023	I467426
C2315392	Certificate of Analysis	Feb 15, 2023	I467426
C2315337	Certificate of Analysis	Feb 15, 2023	I467426
C2315508	Certificate of Analysis	Feb 15, 2023	I467426
C2521392	Certificate of Analysis	Feb 15, 2023	I467426

Chemical and Physical Properties

Sensitivity	air sensitive
Specific Rotation[α]	n20/D 1.467
Flash Point(°F)	226.4 °F
Flash Point(°C)	108 °C
Molecular Weight	154.170 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	154.074 Da
Monoisotopic Mass	154.074 Da
Topological Polar Surface Area	44.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	147.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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