6-Chloro-2-cyano-3-nitropyridine - CAS 93683-65-9

Catalog:	BB041020
Product Name:	6-Chloro-2-cyano-3-nitropyridine
CAS:	93683-65-9
Synonyms:	6-chloro-3-nitro-2-pyridinecarbonitrile; 6-chloro-3-nitropyridine-2-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-chloro-3-nitropyridine-2-carbonitrile
Description:	6-Chloro-2-cyano-3-nitropyridine (CAS# 93683-65-9) is a useful research chemical.
Molecular Weight:	183.55
Molecular Formula:	C6H2ClN3O2
Canonical SMILES:	C1=CC(=NC(=C1[N+](=O)[O-])C#N)Cl
InChI:	InChI=1S/C6H2ClN3O2/c7-6-2-1-5(10(11)12)4(3-8)9-6/h1-2H
InChI Key:	XVIHGTRTKQZJAC-UHFFFAOYSA-N
Boiling Point:	347.2 °C at 760 mmHg
Density:	1.578 g/cm³
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD06657641
LogP:	2.03808

Publication Number	Title	Priority Date
WO-2021127397-A1	Nitrogen heterocyclic compounds and methods of use	20191219
CN-110903286-A	4, 6-disubstituted pyridine [3,2-d ] pyrimidine compound and preparation and application thereof	20191216
CN-110903286-B	4, 6-disubstituted pyridine [3,2-d ] pyrimidine compound and preparation and application thereof	20191216
WO-2019201848-A1	2-methyl-aza-quinazolines	20180418
EP-3781565-A1	2-methyl-aza-quinazolines	20180418

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Related Functional Groups

Nitrogen Compounds

[32894-07-8]
Benzyl thioacetimidate hydrochloride
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole
[351-28-0]
3'-Fluoroacetanilide
[5071-96-5]
3-Methoxybenzylamine

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:	231
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.983554
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	182.983554
Rotatable Bond Count:	0
Topological Polar Surface Area:	82.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7