2-Amino-6-fluoro-1-methylbenzimidazole - CAS 1248916-44-0

Catalog:	BB006014
Product Name:	2-Amino-6-fluoro-1-methylbenzimidazole
CAS:	1248916-44-0
Synonyms:	6-fluoro-1-methyl-2-benzimidazolamine; 6-fluoro-1-methylbenzimidazol-2-amine

Technical Data

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Patents

Computed Properties

IUPAC Name:	6-fluoro-1-methylbenzimidazol-2-amine
Description:	2-Amino-6-fluoro-1-methylbenzimidazole (CAS# 1248916-44-0) is a useful research chemical.
Molecular Weight:	165.17
Molecular Formula:	C8H8FN3
Canonical SMILES:	CN1C2=C(C=CC(=C2)F)N=C1N
InChI:	InChI=1S/C8H8FN3/c1-12-7-4-5(9)2-3-6(7)11-8(12)10/h2-4H,1H3,(H2,10,11)
InChI Key:	NVRHVHDCZDMSQE-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2014140644-A1	Chemical entities	20130315

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.07022543
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	165.07022543
Rotatable Bond Count:	0
Topological Polar Surface Area:	43.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5