4-Fluoro-N-methylaniline - CAS 459-59-6

Catalog:	BB026038
Product Name:	4-Fluoro-N-methylaniline
CAS:	459-59-6
Synonyms:	4-fluoro-N-methylaniline

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	4-fluoro-N-methylaniline
Description:	4-Fluoro-N-methylaniline (CAS# 459-59-6) is a useful research chemical.
Molecular Weight:	125.14
Molecular Formula:	C7H8FN
Canonical SMILES:	CNC1=CC=C(C=C1)F
InChI:	InChI=1S/C7H8FN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
InChI Key:	VLWRKVBQUANIGI-UHFFFAOYSA-N
Boiling Point:	79-80 °C (10 torr)
Density:	1.040 g/cm³
MDL:	MFCD00017942
LogP:	1.94040

Publication Number	Title	Priority Date
CN-113149847-A	Preparation method of aryl tertiary amine compound	20210422
EP-3901154-A1	Purine derivatives as drugs for the treatment of neonatal hypoxia-ischemia brain injury and related diseases	20200423
CN-111153817-A	phenoxy-N-phenylaniline derivatives and application thereof	20200120
CN-111153817-B	phenoxy-N-phenylaniline derivatives and application thereof	20200120
US-2021207274-A1	Alternating current electrolysis for use in organic synthesis	20200103

PMID	Publication Date	Title	Journal
20369854	20100517	Formation of a quinoneimine intermediate of 4-fluoro-N-methylaniline by FMO1: carbon oxidation plus defluorination	Chemical research in toxicology

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GHS Hazard Statement:	H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H318 (97.5%): Causes serious eye damage [Danger 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, P272, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P313, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	77
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	125.064077422
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	125.064077422
Rotatable Bond Count:	1
Topological Polar Surface Area:	12
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3