4-Fluoro-2-nitrobenzaldehyde - CAS 2923-96-8

Catalog:	BB020139
Product Name:	4-Fluoro-2-nitrobenzaldehyde
CAS:	2923-96-8
Synonyms:	4-fluoro-2-nitrobenzaldehyde; 4-fluoro-2-nitrobenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	4-fluoro-2-nitrobenzaldehyde
Description:	4-Fluoro-2-nitrobenzaldehyde (CAS# 2923-96-8) is a useful research chemical.
Molecular Weight:	169.11
Molecular Formula:	C7H4FNO3
Canonical SMILES:	C1=CC(=C(C=C1F)[N+](=O)[O-])C=O
InChI:	InChI=1S/C7H4FNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-4H
InChI Key:	ORCGMGUNVGVHDN-UHFFFAOYSA-N
Boiling Point:	294.2 °C at 760 mmHg
Density:	1.443 g/cm³
MDL:	MFCD01666439
LogP:	2.06960

Publication Number	Title	Priority Date
US-11040939-B1	N-transfer reagent and method for preparing the same and its application	20200623
WO-2021144439-A1	Quinoxaline derivatives	20200117
TW-202007687-A	Further substituted triazolo quinoxaline derivatives	20180720
US-2020024281-A1	Further substituted triazolo quinoxaline derivatives	20180720
WO-2020016452-A1	Further substituted triazolo quinoxaline derivatives	20180720

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.01752115
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	169.01752115
Rotatable Bond Count:	1
Topological Polar Surface Area:	62.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4