2-(Trichloromethyl)-1H-benzimidazole - CAS 3584-65-4

Catalog:	BB022768
Product Name:	2-(Trichloromethyl)-1H-benzimidazole
CAS:	3584-65-4
Synonyms:	2-(trichloromethyl)-1H-benzimidazole; 2-(trichloromethyl)-1H-benzimidazole

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Computed Properties

IUPAC Name:	2-(trichloromethyl)-1H-benzimidazole
Description:	2-(Trichloromethyl)-1H-benzimidazole (CAS# 3584-65-4) is a useful research chemical.
Molecular Weight:	235.50
Molecular Formula:	C8H5Cl3N2
Canonical SMILES:	C1=CC=C2C(=C1)NC(=N2)C(Cl)(Cl)Cl
InChI:	InChI=1S/C8H5Cl3N2/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H,(H,12,13)
InChI Key:	ZVFSYTFFWGYEMM-UHFFFAOYSA-N
Boiling Point:	346.9 °C at 760 mmHg
Density:	1.608 g/cm³
MDL:	MFCD00022677
LogP:	3.38960

Publication Number	Title	Priority Date
JP-2019203097-A	Novolac type phenolic resin for photosensitive resin composition	20180525
US-2020140393-A1	Bacterial efflux pump inhibitors	20170310
AU-2017382360-A1	Compounds, compositions and methods of use	20161223
CA-3047404-A1	Compounds, compositions and methods of use	20161223
EP-3557998-A1	Compouns, compositions and methods of use	20161223

PMID	Publication Date	Title	Journal
22567563	20120101	Application of 2-trichloromethylbenzimidazole in analytical chemistry: a highly selective chromogenic reagent for thin-layer chromatography and some other analytical uses	Journal of analytical methods in chemistry

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.951831
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	233.951831
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4