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5-Methylbenzimidazole - 98%, high purity , CAS No.614-97-1

1 Citations

COA

Grade & Purity:

≥98%

Cas Number: 614-97-1
Molecular Weight: 132.17
Beilstein Registry Number: 23151
MDL number: MFCD00010740
PubChem CID: 11979
PubChem SID: 504752227

In stock

Item Number

M158013

Grouped product items
SKU	Size	Availability	Price
M158013-1g	1g	3	$14.90
M158013-5g	5g	2	$31.90
M158013-25g	25g	3	$77.90
M158013-100g	100g	2	$256.90

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Benzimidazoles (91) Five-Membered Heterocyclic Compounds (2064)

Basic Description

Synonyms	FT-0620642 \| phenylalanine, 4-cyano-, ethyl ester \| 5MB \| BIDD:GT0671 \| GS-6306 \| InChI=1/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10 \| 5-methyl-1H-benzoimidazole \| 1H-Benzimidazole, 6-methyl- \| STK242092 \| AC-2010 \| DTXSID1060639 \| EN300-88816 \| D
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	The FT-IR and FT-Raman spectra of 5-methylbenzimidazole was investigated by density functional theory. It is a camphor substitute.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzimidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzimidazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzimidazoles
Alternative Parents	Benzenoids Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzimidazole - Benzenoid - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
External Descriptors	imidazoles
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

Associated Targets(Human)

XDH Tclin Xanthine dehydrogenase (1038 Activities)

Discover Target: XDH

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A1 Tchem Cytochrome P450 1A1 (1169 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CCRF-CEM (65223 Activities)

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MCF7 (126967 Activities)

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SR (39847 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Cyp2b1 Cytochrome P450 2B1 (145 Activities)

Discover Target: Cyp2b1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504752227
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752227
IUPAC Name	6-methyl-1H-benzimidazole
INCHI	InChI=1S/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)
InChIKey	RWXZXCZBMQPOBF-UHFFFAOYSA-N
Smiles	CC1=CC2=C(C=C1)N=CN2
Isomeric SMILES	CC1=CC2=C(C=C1)N=CN2
WGK Germany	3
RTECS	DD9275000
Molecular Weight	132.17
Beilstein	23151
Reaxy-Rn	508149
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=508149&ln=

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.

16 results found

Lot Number	Certificate Type	Date	Item
C2520496	Certificate of Analysis	Dec 20, 2024	M158013
C2531421	Certificate of Analysis	Dec 20, 2024	M158013
C2531433	Certificate of Analysis	Dec 20, 2024	M158013
C2531438	Certificate of Analysis	Dec 20, 2024	M158013
G2405224	Certificate of Analysis	Mar 22, 2024	M158013
G2405500	Certificate of Analysis	Mar 22, 2024	M158013
G2405534	Certificate of Analysis	Mar 22, 2024	M158013
B2019115	Certificate of Analysis	Dec 19, 2023	M158013
B2019116	Certificate of Analysis	Dec 19, 2023	M158013
B2019114	Certificate of Analysis	Dec 19, 2023	M158013
L2206299	Certificate of Analysis	Oct 19, 2022	M158013
L2206303	Certificate of Analysis	Oct 19, 2022	M158013
L2206304	Certificate of Analysis	Oct 19, 2022	M158013
L2206306	Certificate of Analysis	Oct 19, 2022	M158013
C2226543	Certificate of Analysis	Mar 09, 2022	M158013
C2226541	Certificate of Analysis	Mar 09, 2022	M158013

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Chemical and Physical Properties

Solubility	Soluble in chloroform (25mg/ml).
Boil Point(°C)	172 °C/0.1 mmHg
Melt Point(°C)	112 °C
Molecular Weight	132.160 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	132.069 Da
Monoisotopic Mass	132.069 Da
Topological Polar Surface Area	28.700 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	124.000
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

Alternative Products

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Huanni Xia, Hua Jin, Yating Zhang, Hao Song, Jianqiao Hu, Yun Huang, Yanshuo Li. (2022) A long-lasting TIF-4 MOF glass membrane for selective CO2 separation. JOURNAL OF MEMBRANE SCIENCE, 655 (120611).

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5-Methylbenzimidazole - 98%, high purity , CAS No.614-97-1

Basic Description

Taxonomic Classification

Associated Targets(Human)

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

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

Show more⌵

Chemical and Physical Properties

Alternative Products

Citations of This Product

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

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