(2S)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile

HCID 11073883CAS 207557-35-5
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Grundinformationen

Standard-SMILES
N#C[C@@H]1CCCN1C(=O)CCl
InChIKey
YCWRPKBYQZOLCD-LURJTMIESA-N
Summenformel
C7H9ClN2O
Durchschnittliche Molmasse
172,61 g/mol
Monoisotopische Masse
172,0403406

Namen und Bezeichner

Bevorzugter Name
(2S)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile
IUPAC
(2S)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile
Englischer Name
(2S)-1-(Chloroacetyl)-2-pyrrolidinecarbonitrile
Summenformel
C7H9ClN2O
Molmasse
172.61

Namen und Synonyme

(S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile(2S)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrileRefChem:397777807-388-8207557-35-5(2S)-1-(Chloroacetyl)-2-pyrrolidinecarbonitrile(S)-1-(2-Chloroacetyl)-pyrrolidine-2-carbonitrileMFCD086899022-Pyrrolidinecarbonitrile, 1-(2-chloroacetyl)-, (2S)-(S)-1-(2-Chloro-acetyl)-pyrrolidine-2-carbonitrile(2S)-1-(2-Chloroacetyl)-2-9-pyrrolidinecarbonitrile(2S)-1-(chloroacetyl)pyrrolidine-2-carbonitrile
Weitere Namen anzeigen
(2S)-1-(2-chloroacetyl)-2-Pyrrolidinecarbonitrile(S)-1-(2-Chloroacetyl)-2-cyanopyrrolidineC7HgCIN2Ocas:207557-35-5TetrahydropyroleVigliptin Impurity 14Vogliptin impurity II
Vildagliptin Impurity 112-Pyrrolidinecarbonitrile, 1-(chloroacetyl)-, (2S)-Vildagliptin Impurity H(S)-1-(Chloroacetyl)-2-pyrrolidinecarbonitrileVildagliptin Intermediate IISCHEMBL605418DTXSID00454201YCWRPKBYQZOLCD-LURJTMIESA-N

Datenbank-Bezeichner

CAS
207557-35-5
PubChem CID
11073883
DTXSID
DTXSID00454201
EC Number
807-388-8
Nikkaji
J1.722.426C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,7
Polarare Oberfläche (TPSA)
44,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
11

Physikochemische Eigenschaften

Schmelzpunkt
52 · 52-53 °C
Siedepunkt
363.1 · 363.1±37.0 °C(Predicted)
Dichte
1.27 · 1.27±0.1 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Aggregatzustand
Solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (85.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 2 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

Regulatory InformationStatus: Active Update: 11-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23399
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (85.7%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 11-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23399

Sicherheitsdaten

hs_code
2933998090

Chemie und Industrie

Anwendungen

Verwenden(2S)-1-(2-Chloroacetyl)-2-9-pyrrolidinecarbonitrile is a key intermediate for dipeptidyl peptidase IV inhibitor Vildagliptin (V305000).

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Syntechem Co.,Ltd[email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
安庆奇创药业有限公司18061456370

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