2-Chloro-4-methyl-3-nitropyridine

Bezeichnung:2-Chloro-4-methyl-3-nitropyridine

CAS-Nr23056-39-5

Englisch Name:2-Chloro-4-methyl-3-nitropyridine

CBNumberCB9304053

SummenformelC6H5ClN2O2

Molgewicht172.57

MOL-Datei23056-39-5.mol

2-Chloro-4-methyl-3-nitropyridine physikalisch-chemischer Eigenschaften

Schmelzpunkt	51-53 °C (lit.)
Siedepunkt	279.6±35.0 °C(Predicted)
Dichte	1.406±0.06 g/cm3(Predicted)
Flammpunkt	>230 °F
storage temp.	Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit	Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pka	-1.80±0.10(Predicted)
Aggregatzustand	Powder
Farbe	Yellow to beige
Sensitive	Hygroscopic
InChI	InChI=1S/C6H5ClN2O2/c1-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3
InChIKey	JHARVUVBTAAPLA-UHFFFAOYSA-N
SMILES	C1(Cl)=NC=CC(C)=C1[N+]([O-])=O
CAS Datenbank	23056-39-5(CAS DataBase Reference)

Sicherheit

Kennzeichnung gefährlicher	Xi,Xn
R-Sätze:	36/37/38-21/22
S-Sätze:	26-37/39-36/37/39-36
RIDADR	UN2811
WGK Germany	3
HazardClass	6.1
PackingGroup	III
HS Code	29333999

Gefahreninformationscode (GHS)

2-Chloro-4-methyl-3-nitropyridine Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
R21/22:Gesundheitsschädlich bei Berührung mit der Haut und beim Verschlucken.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S37/39:Bei der Arbeit geeignete Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
S36/37/39:Bei der Arbeit geeignete Schutzkleidung,Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
Chemische Eigenschaften
Light yellow Cryst
Verwenden
2-Chloro-4-methyl-3-nitropyridine is a cyclopropyldipyridodiazepinone derivative for use as non-nucleoside reverse transcriptase inhibitors.
Definition
2-Chloro-4-methyl-3-nitropyridine (2C4M3NP) is a nitropyridine derivative that could form an acceptor fragment of 2-adamantylamino-5-nitropyridine (AANP). This crystal shows a particularly large optical non-linearity. It is observed that the mean C-C (ring) bond distance calculated between the ring carbon atoms of 2C4M3NP is 1.387 Å. In X-ray data of pyridine, the mean C-C (ring) bond distance is 1.394 Å. The C-H bond distances are found to be 1.081 Å. The computed values of C-C (ring) and C-H are slightly higher than that of the experimental value. This is attributed to the substituents present in the pyridine. The C-C-C bond angle where the -Cl and -NO2 group is attached with the middle carbon is more than 120^? while the C-C-C bond angle where the -CH3 is substituted is less than 120^? in 2C4M3NP. The N-C-CH3 bond angle (116.3^。) is less than that of the C-C-CH3 (124.2^。) probably due to the weak hydrogen bond formed between the nitrogen and hydrogen of the methyl group[1].
Allgemeine Beschreibung
Experimental FTIR and FT-Raman spectroscopic analysis of 2-chloro-4-methyl-3-nitropyridine was reported.
Einzelnachweise
[1] Arjunan, V. , et al. "A comparative study on vibrational, conformational and electronic structure of 2-chloro-4-methyl-3-nitropyridine and 2-chloro-6-methylpyridine." Spectrochimica Acta Part A Molecular & Biomolecular Spectroscopy 92.none(2012):305-317.

2-Chloro-4-methyl-3-nitropyridine Upstream-Materialien And Downstream Produkte

2-Chloro-4-methyl-3-nitropyridine Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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