3-Fluoro-4-imidazol-1-ylaniline - CAS 190200-19-2

Catalog:	BB042814
Product Name:	3-Fluoro-4-imidazol-1-ylaniline
CAS:	190200-19-2
Synonyms:	3-Fluoro-4-(1H-imidazol-1-yl)aniline; 3-Fluoro-4-imidazolylphenylamine; 3-Fluoro-4-(1H-imidazol-1-yl)phenylamine; SCHEMBL1354709

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	3-fluoro-4-imidazol-1-ylaniline
Description:	3-Fluoro-4-imidazol-1-ylaniline (CAS# 190200-19-2 ) is a useful research chemical.
Molecular Weight:	177.18
Molecular Formula:	C9H8FN3
Canonical SMILES:	C1=CC(=C(C=C1N)F)N2C=CN=C2
InChI:	InChI=1S/C9H8FN3/c10-8-5-7(11)1-2-9(8)13-4-3-12-6-13/h1-6H,11H2
InChI Key:	FWEVZRRTTOEITN-UHFFFAOYSA-N

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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:	177.07022543
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	177.07022543
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1