2-Chloro-6-methylpyridine-3-carbonitrile

2-CHLORO-6-METHYLNICOTINONITRILE · AKOS BBS-00008244 · BUTTPARK 153\57-09 · IFLAB-BB F3250-0678 · TIMTEC-BB SBB006618 · 2-Chloro-3-Cyano-6-Picoline · 2-chloro-3-cyano-6-methypyridine · 2-CHLORO-3-CYANO-6-METHYLPYRIDINE

https://huagongshe.com/de/chemical/520400

Molekülstruktur von 2-Chloro-6-methylpyridine-3-carbonitrile

Identifikatoren & physikalische Daten

CAS No.	28900-10-9
Summenformel	C7H5ClN2
Durchschnittliche Molmasse	152,58 g/mol
Monoisotopische Masse	152,0141259 g/mol
SMILES	Cc1ccc(C#N)c(Cl)n1
InChIKey	YSBNBAYNISAUIT-UHFFFAOYSA-N
PubChem CID	520400
EC No.	628-229-7
DTXSID	DTXSID60334338

Chemische & physikalische Eigenschaften

XLogP	1,9
Polarare Oberfläche (TPSA)	36,7
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	10
Formalladung	0
Komplexität	160
Schmelzpunkt	114-116 °C (lit.)
Siedepunkt	140-145 °C (lit.)
Dichte	1.2763 (rough estimate)
Brechungsindex	1.5500 (estimate)
Lagerbedingungen	Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit	Chloroform, Methanol
Aggregatzustand	Solid
pKa (Säurekonstante)	-1.21±0.10(Predicted)
Farbe	Pale Yellow
BRN	120414
InChI	InChI=1S/C7H5ClN2/c1-5-2-3-6(4-9)7(8)10-5/h2-3H,1H3
InChIKey	YSBNBAYNISAUIT-UHFFFAOYSA-N
SMILES	C1(Cl)=NC(C)=CC=C1C#N
CAS Datenbank	28900-10-9(CAS DataBase Reference)
NIST chemische Informationen	2-Chloro-3-cyano-6-methylpyridine(28900-10-9)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (91.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (10.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (89.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (89.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and Categories	Acute Tox. 4 (100%)Acute Tox. 4 (91.3%)Skin Irrit. 2 (100%)Eye Dam. 1 (10.9%)Eye Irrit. 2 (89.1%)Acute Tox. 4 (89.1%)STOT SE 3 (100%)
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	3276
Zollcode	29333990
R-Sätze (R)	20/21/22-36/37/38
Gefahrensymbole	Xn,T
hazard_note	Toxic
Sicherheitshinweise (S)	26-37/39-36/37/39-22

Anwendungen & Verwendung

Verwenden

2-Chloro-6-methyl-3-pyridinecarbonitrile, is a building block used for the synthesis of various biologically active compounds. It can be used for the preparation of 2-(Alkoxycarbonyl)-3-Anilinobenzo[b]thiophenes and Thieno[2,3-b]pyridines as new potent anticancer agents.