2-Ethoxy-4-fluoro-1-nitrobenzene - CAS 28987-44-2

Catalog:	BB020035
Product Name:	2-Ethoxy-4-fluoro-1-nitrobenzene
CAS:	28987-44-2
Synonyms:	2-ethoxy-4-fluoro-1-nitrobenzene; 2-ethoxy-4-fluoro-1-nitrobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-ethoxy-4-fluoro-1-nitrobenzene
Description:	2-Ethoxy-4-fluoro-1-nitrobenzene (CAS# 28987-44-2) is a useful research chemical.
Molecular Weight:	185.15
Molecular Formula:	C8H8FNO3
Canonical SMILES:	CCOC1=C(C=CC(=C1)F)[N+](=O)[O-]
InChI:	InChI=1S/C8H8FNO3/c1-2-13-8-5-6(9)3-4-7(8)10(11)12/h3-5H,2H2,1H3
InChI Key:	LEMJFSSYFHTFFP-UHFFFAOYSA-N
Boiling Point:	261.5 °C at 760 mmHg
Density:	1.268 g/cm³
LogP:	2.65580

Publication Number	Title	Priority Date
CN-111217816-A	FLT3 kinase inhibitor and preparation and application thereof	20181127
US-10172856-B2	2,4-diaminopyrimidine derivatives as histamine H4 modulators	20170406
US-2018289706-A1	2,4-diaminopyrimidine derivatives as histamine h4 modulators	20170406
WO-2018187652-A1	2,4-diaminopyrimidine derivatives as histamine h4 modulators	20170406
CN-108602802-B	Aminopyrimidines useful for inhibiting protein tyrosine kinase activity	20160726

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Related Functional Groups

Nitrogen Compounds

[32894-07-8]
Benzyl thioacetimidate hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline

GHS Hazard Statement:	H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.04882128
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	185.04882128
Rotatable Bond Count:	2
Topological Polar Surface Area:	55 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1