N-Ethyl-2-nitroaniline - CAS 10112-15-9

Catalog:	BB000443
Product Name:	N-Ethyl-2-nitroaniline
CAS:	10112-15-9
Synonyms:	N-ethyl-2-nitroaniline

Technical Data

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Computed Properties

IUPAC Name:	N-ethyl-2-nitroaniline
Description:	N-Ethyl-2-nitroaniline (CAS# 10112-15-9) is a useful research chemical.
Molecular Weight:	166.18
Molecular Formula:	C8H10N2O2
Canonical SMILES:	CCNC1=CC=CC=C1[N+](=O)[O-]
InChI:	InChI=1S/C8H10N2O2/c1-2-9-7-5-3-4-6-8(7)10(11)12/h3-6,9H,2H2,1H3
InChI Key:	CQIKVOWCSGXCCG-UHFFFAOYSA-N
Boiling Point:	168 °C / 20 mmHg (lit.)
Density:	1.19 g/mL at 25 °C (lit.)
MDL:	MFCD00007091
LogP:	2.62280

Publication Number	Title	Priority Date
CN-111646911-A	Method for synthesizing o-aminoacetophenone	20200421
EP-3799884-A1	Immunogenic compositions	20191001
WO-2021064050-A1	Immunogenic compositions	20191001
WO-2021059181-A1	Neisseria meningitidis compositions and methods thereof	20190927
WO-2021044436-A2	Immunogenic compositions against enteric diseases and methods for its preparation thereof	20190903

PMID	Publication Date	Title	Journal
20603568	20100701	N,N'-diethyl-4-nitrobenzene-1,3-diamine, 2,6-bis(ethylamino)-3-nitrobenzonitrile and bis(4-ethylamino-3-nitrophenyl) sulfone	Acta crystallographica. Section C, Crystal structure communications

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Related Functional Groups

Nitrogen Compounds

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[618-40-6]
1-Methyl-1-phenylhydrazine
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol

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GHS Hazard Statement:	H302 (100%): 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:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.074227566
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	166.074227566
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5