2-(Difluoromethyl)benzimidazole - CAS 705-09-9

Catalog:	BB034163
Product Name:	2-(Difluoromethyl)benzimidazole
CAS:	705-09-9
Synonyms:	2-(difluoromethyl)-1H-benzimidazole; 2-(difluoromethyl)-1H-benzimidazole

Technical Data

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Computed Properties

IUPAC Name:	2-(difluoromethyl)-1H-benzimidazole
Description:	2-(Difluoromethyl)benzimidazole (CAS# 705-09-9) is a useful research chemical.
Molecular Weight:	168.14
Molecular Formula:	C8H6F2N2
Canonical SMILES:	C1=CC=C2C(=C1)NC(=N2)C(F)F
InChI:	InChI=1S/C8H6F2N2/c9-7(10)8-11-5-3-1-2-4-6(5)12-8/h1-4,7H,(H,11,12)
InChI Key:	PURNIHSRWGYONZ-UHFFFAOYSA-N
Boiling Point:	309.8 °C at 760 mmHg
Density:	1.366 g/cm³
MDL:	MFCD00463015
LogP:	2.50050

Publication Number	Title	Priority Date
WO-2021207024-A1	Preparation of a 1,3,5-triazinyl benzimidazole	20200407
US-2021048747-A1	Chemically amplified resist composition and patterning process	20190814
US-2020192222-A1	Resist composition and patterning process	20181218
US-11028105-B2	Difluoromethyl and difluoromethylene transfer reagents	20180629
CN-110343095-A	A kind of arginine methyltransferase inhibitor and its pharmaceutical composition and purposes	20180408

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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:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.04990452
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.04990452
Rotatable Bond Count:	1
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4