4-Chloro-N-methylpicolinamide (HCID 1476814)

Namen und Bezeichner

Bevorzugter Name: 4-Chloro-N-methylpicolinamide
IUPAC: 4-chloro-N-methylpyridine-2-carboxamide
Englischer Name: 4-Chloro-N-methylpicolinamide
Summenformel: C7H7ClN2O
Molmasse: 170.6

Namen und Synonyme

220000-87-34-Chloro-N-methylpicolinamide4-Chloro-N-methylpyridine-2-carboxamideDTXSID80363105RefChem:521896DTXCID80314152606-888-1N-Methyl-4-chloropyridine-2-carboxamide4-Chloro-N-methyl-2-pyridinecarboxamideMFCD02185921N-METHYL 4-CHLOROPICOLINAMIDECHEMBL4163507

Weitere Namen anzeigen

oro-N-methyLSorafenib INT3CAS:220000-87-34-Chloropyridine-2IFLAB-BB F2108-0189Sorafenib Impurity 06-2-pyridinecarboxamide

4-Chloro-N-methylpyridine-2-carboxamide (>90%)(4-chloro(2-pyridyl))-N-methylcarboxamide4-Chloranyl-~{n}-Methyl-Pyridine-2-Carboxamide4-Chloro-N-methylpyridine-2-carboxamide (>90per cent)2-Pyridinecarboxamide, 4-chloro-N-methyl-7MU4-CHLOROPYRIDINE-2-CARBOXYLIC ACID METHYLAMIDESorafenib Impurity 47

Datenbank-Bezeichner

CAS: 220000-87-3
PubChem CID: 1476814
DTXSID: DTXSID80363105
ChEMBL: CHEMBL4163507
EC Number: 606-888-1
Nikkaji: J1.145.124A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 42 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 151

Physikochemische Eigenschaften

Schmelzpunkt: 41 · 41-43°C
Siedepunkt: 317.8 · 317.8±27.0 °C(Predicted)
Dichte: 1.264 · 1.264±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Dichloromethane (Slightly), Ethyl Acetate (Slightly), Met
Aggregatzustand: Solid
pka: 13.41 · 13.41±0.46(Predicted)
Farbe: Off-White to Light Yellow
InChI: InChI=1S/C7H7ClN2O/c1-9-7(11)6-4-5(8)2-3-10-6/h2-4H,1H3,(H,9,11)
InChIKey: BGVBBMZMEKXUTR-UHFFFAOYSA-N
SMILES: C1(C(NC)=O)=NC=CC(Cl)=C1
CAS Datenbank: 220000 · 220000-87-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (87.5%): 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, 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 8 reports by companies from 5 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 (25%)；Acute Tox. 4 (25%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (25%)；STOT SE 3 (87.5%)

Sicherheitsdaten

hs_code: 2933399990
risk_code: 22-36
hazard_code: Xn
safety_code: 26

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung4-Chloro-N-methylpicolinamide is a polar organic compound that interacts with hydrogen bonds. It has been shown to inhibit the value-added of cancer cells by inhibiting protein synthesis to inhibit the growth of human hepatocellular carcinoma cells, bcr/abl kinase, and hct116 cells, and is a candidate for cancer treatment. Studies have shown that it also inhibits the proliferation of MDA-MB231 breast cancer cells by blocking growth factor activity. In addition, 4-Chloro-N-methylpicolinamide is a pharmaceutical intermediate component used in the preparation of the antineoplastic drugs regorafenib and sorafenib.

Verwenden4-Chloro-N-methylpyridine-2-carboxamide (>90%) (cas# 220000-87-3) is a compound useful in organic synthesis.