(1H-Benzoimidazol-2-yl)methanol - CAS 4856-97-7

Catalog:	BB026550
Product Name:	(1H-Benzoimidazol-2-yl)methanol
CAS:	4856-97-7
Synonyms:	1H-benzimidazol-2-ylmethanol; 1H-benzimidazol-2-ylmethanol

Technical Data

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Computed Properties

IUPAC Name:	1H-benzimidazol-2-ylmethanol
Description:	(1H-Benzoimidazol-2-yl)methanol (CAS# 4856-97-7) is an intermediate used in the preparation of chloromethyl-benzimidazoles and other benzimidazole derivatives with antimicrobial properties.
Molecular Weight:	148.16
Molecular Formula:	C8H8N2O
Canonical SMILES:	C1=CC=C2C(=C1)NC(=N2)CO
InChI:	InChI=1S/C8H8N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10)
InChI Key:	IAJLTMBBAVVMQO-UHFFFAOYSA-N
Boiling Point:	412.6 °C at 760 mmHg
Density:	1.36 g/cm³
MDL:	MFCD00014560
LogP:	1.05520

Publication Number	Title	Priority Date
CN-111635365-A	Mixed-valence copper (I, II) complex and in-situ synthesis method thereof	20200629
CN-111393372-A	Benzimidazole derivative and preparation method and application thereof	20200512
CN-110904473-A	5G antenna environment-friendly copper plating process	20191204
CN-110904473-B	5G antenna environment-friendly copper plating process	20191204
JP-2021047305-A	Low-dielectric photosensitive resin composition and its cured product	20190919

PMID	Publication Date	Title	Journal
22076957	20111209	Exploring the effect of metal ions and counteranions on the structure and magnetic properties of five dodecanuclear Co(II) and Ni(II) clusters	Chemistry (Weinheim an der Bergstrasse, Germany)
21358046	20110301	A crystallographic fragment screen identifies cinnamic acid derivatives as starting points for potent Pim-1 inhibitors	Acta crystallographica. Section D, Biological crystallography
20801712	20101101	Spectroscopic investigation of the interaction between diperoxovanadate complexes and benzimidazole-like ligands	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
21579656	20100123	Bis[(1-methyl-1H-benzimidazol-2-yl)methanol-κN,O]bis-(thio-cyanato-κN)cobalt(II) methanol solvate	Acta crystallographica. Section E, Structure reports online
12182875	20020916	Design, synthesis and biological evaluation of cyclic angiotensin II analogues with 3,5 side-chain bridges. Role of C-terminal aromatic residue and ring cluster for activity and implications in the drug design of AT1 non-peptide antagonists	Bioorganic & medicinal chemistry letters

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GHS Hazard Statement:	H302 (93.02%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.063662883
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	148.063662883
Rotatable Bond Count:	1
Topological Polar Surface Area:	48.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9