5-Chloro-2-thiophenecarboxylic acid

HCID 95048CAS 24065-33-6
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
O=C(O)c1ccc(Cl)s1
InChIKey
QZLSBOVWPHXCLT-UHFFFAOYSA-N
Summenformel
C5H3ClO2S
Durchschnittliche Molmasse
162,59 g/mol
Monoisotopische Masse
161,95422802

Namen und Bezeichner

Bevorzugter Name
5-Chloro-2-thiophenecarboxylic acid
IUPAC
5-chlorothiophene-2-carboxylic acid
Englischer Name
5-Chlorothiophene-2-carboxylic acid
Summenformel
C5H3ClO2S
Molmasse
162.59

Namen und Synonyme

5-Chlorothiophene-2-carboxylic acid24065-33-65-Chloro-2-thiophenecarboxylic acid2-Thiophenecarboxylic acid, 5-chloro-XV5SRC3PJ3RIVAROXABAN CTCA IMPURITYNSC-14776DTXSID101788005-CHLOROTHIOPHEN-2-CARBOXYLIC ACIDRIVAROXABAN IMPURITY F [EP IMPURITY]RIVAROXABAN IMPURITY F (EP IMPURITY)RefChem:102336
Weitere Namen anzeigen
5-Chlorothiophene-2-carboxylicRivaroxaban EP Impurity F5-chloro-2-thiophenecarboxylicaciNSC 14776AKOS B000092Rivaroxaban F
DTXCID301012915-CHLORO-THIOPHENE-2-CARBOXILIC ACID480-060-6607-311-6QZLSBOVWPHXCLT-UHFFFAOYSA-NMFCD000414265-Chlorothiophene-2-carboxylicacid5-Chloro thiophene-2-carboxylic acid

Datenbank-Bezeichner

CAS
24065-33-6
PubChem CID
95048
DTXSID
DTXSID10178800
ChEMBL
CHEMBL4280438
UNII
XV5SRC3PJ3
EC Number
480-060-6、607-311-6
Nikkaji
J48.863A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,4
Polarare Oberfläche (TPSA)
65,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
1
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Metabolite of Rivaroxaban

Physikochemische Eigenschaften

Schmelzpunkt
154 · 154-158 °C(lit.)
Siedepunkt
287 · 287.0±20.0 °C(Predicted)
Dichte
1.466 · 1.466 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit
DMSO (Slightly), Methanol (Slightly)
pka
3.32 · 3.32±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H315 (20.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 106 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

Gefahrenhinweise

Regulatory InformationStatus: No longer Valid Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/8824
Hazard Classes and Categories · 2 Einträge

Acute Tox. 4 (50%)

Skin Irrit. 2 (20.8%)

Sicherheitsdaten

wgk
3
hs_code
29349990
RTECS-Nr.
XM8400000
risk_code
36-43-36/37/38
hazard_code
Xi
safety_code
26-36-37/39

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung5-Chlorothiophene-2-carboxylic acid is a biochemical reagent that can be used as a biological material or organic compound for life science-related research. It is also used as a ligand to synthesise the New Mono and Binuclear Ruthenium(II) Complexes[1].

Verwenden5-Chlorothiophene-2-carboxylic acid can be used in the synthesis of the following:rivaroxaban, an oxazolidinone derivative used in the treatment of thromboembolic disorders5-chloro-4-nitrothiophene-2-carboxylic acid, which can be used in the synthesis of thieno[2,3-b][1,4]thiapezine-5-ones

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥瑞洛新材料科技有限公司19567218739 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

Zugehörige Reaktionen

210
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…