2,6-Dichloro-5-fluoronicotinamide
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Grundinformationen
- CAS
113237-20-0- Standard-SMILES
NC(=O)c1cc(F)c(Cl)nc1Cl- InChIKey
ZVYNUGSPFZCYEV-UHFFFAOYSA-N- Summenformel
- C6H3Cl2FN2O
- Durchschnittliche Molmasse
- 209 g/mol
- Monoisotopische Masse
- 207,9606463
Namen und Bezeichner
- Bevorzugter Name
- 2,6-Dichloro-5-fluoronicotinamide
- IUPAC
- 2,6-dichloro-5-fluoropyridine-3-carboxamide
- Englischer Name
- 2,6-Dichloro-5-fluoronicotinamide
- Summenformel
- C6H3Cl2FN2O
- Molmasse
- 209.01
Namen und Synonyme
2,6-dichloro-5-fluoronicotinamide113237-20-0DTXSID30378845RefChem:248266DTXCID30329872692-271-22,6-dichloro-5-fluoropyridine-3-carboxamide3-Pyridinecarboxamide, 2,6-dichloro-5-fluoro-MFCD015713652,6-dichloro-5-fluoro-pyridine-3-carboxamide2,6-dichloro-5-fluoro-nicotinamideC6H3Cl2FN2O
Weitere Namen anzeigen
2,6-Dichloro-5-fluoropyridine-3-carboxamide, 3-Carbamoyl-2,6-dichloro-5-fluoropyridineCPD2809-A1Sotorasib Impurity 1Olutasidenib Impurity 322,6-DICHLORO-5-FLUORONICOTIMIDE2,6-Dichloro-5-fluoronicotinamide97%2,6-Dichloro-5-fluoronicotinamide 97%2,6-Dichloro-3-formamide-5-fluoropyridine
2,6-dichloro-5-fluoro-3-pyridinecarboxamideH9DAW4Y9K4SCHEMBL166218SCHEMBL30474526ZVYNUGSPFZCYEV-UHFFFAOYSA-NSBB055539AKOS015919604SB30778
Datenbank-Bezeichner
- CAS
113237-20-0
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 56 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 192
Physikochemische Eigenschaften
- Schmelzpunkt
- 160 · 160-162
- Siedepunkt
- 259 · 259.0±40.0 °C(Predicted)
- Dichte
- 1.614 · 1.614±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Aggregatzustand
- crystalline solid
- pka
- 13.36 · 13.36±0.50(Predicted)
- Farbe
- White
- InChI
- InChI=1S/C6H3Cl2FN2O/c7-4-2(6(10)12)1-3(9)5(8)11-4/h1H,(H2,10,12)
- InChIKey
- ZVYNUGSPFZCYEV-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC(Cl)=C(F)C=C1C(N)=O
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (80%): 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 (80%): 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, 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 5 reports by companies from 4 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 (80%)；Acute Tox. 4 (80%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (80%)；STOT SE 3 (100%)
Sicherheitsdaten
- hs_code
- 2933399990
- hazard_code
- Xi
- hazard_note
- Irritant
Chemie und Industrie
Anwendungen
Verwenden2,6-Dichloro-5-fluoronicotinamide is a fluorinated pharmaceutical intermediate compound used in the synthesis of Sotorasib and AMG 510. Sotorasib is a RAS GTPase family inhibitor used for the treatment of KRAS-mutated solid tumours including non-small cell lung cancer (NSCLC) and colorectal cancer.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter100 Anbieter
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
上海策嵘生物科技有限公司[email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Zugehörige Reaktionen
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