2-Chloro-6-methylpyridine-3-carbonitrile (HCID 520400)

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-6-methylpyridine-3-carbonitrile
IUPAC: 2-chloro-6-methylpyridine-3-carbonitrile
Englischer Name: 2-Chloro-6-methyl-3-pyridinecarbonitrile
Summenformel: C7H5ClN2
Molmasse: 152.58

Namen und Synonyme

2-chloro-6-methylpyridine-3-carbonitrileRefChem:469704628-229-728900-10-92-Chloro-6-methylnicotinonitrile2-Chloro-6-methyl-3-pyridinecarbonitrile2-Chloro-3-cyano-6-methylpyridineMFCD000827673-Pyridinecarbonitrile, 2-chloro-6-methyl-2-Chloro-6-methyl-nicotinonitrileDTXSID60334338CS-M1411

Weitere Namen anzeigen

AKOS BBS-00008244BUTTPARK 153\57-09IFLAB-BB F3250-0678TIMTEC-BB SBB0066182-chloro-3-cyano-6-methypyridine2-Chloro-6-methyl-3-cyano-pyridine2-chloro-6-methylnicotinonitrile 99%

TD8102F3250-0678PB12067AC-24537AS-17587BB 0219228VU0607312-12-Chloro-3-cyano-6-picoline

Datenbank-Bezeichner

CAS: 28900-10-9
PubChem CID: 520400
DTXSID: DTXSID60334338
EC Number: 628-229-7
Nikkaji: J1.350.506C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 36,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 160

Physikochemische Eigenschaften

Schmelzpunkt: 114 · 114-116 °C (lit.)
Siedepunkt: 140 · 140-145 °C (lit.)
Dichte: 1.2763 · 1.2763 (rough estimate)
Brechungsindex: 1.55 · 1.5500 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Methanol
Aggregatzustand: Solid
pka: -1.21 · -1.21±0.10(Predicted)
Farbe: Pale Yellow
BRN: 120414 · 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 · 28900-10-9(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Chloro-3-cyano-6-methylpyridine(28900-10-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (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 exposure; Respiratory 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute 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%)

Sicherheitsdaten

wgk: 3
ridadr: 3276
hs_code: 29333990
risk_code: 20/21/22-36/37/38
hazard_code: Xn,T
hazard_note: Toxic
safety_code: 26-37/39-36/37/39-22
hazard_class: 6.1
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-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.