5-Oxo-5-(2-thienyl)valeric acid

HCID 255155
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Grundinformationen

CAS
22971-62-6
Standard-SMILES
O=C(O)CCCC(=O)c1cccs1
InChIKey
GSQMRVFOHNXKOR-UHFFFAOYSA-N
Summenformel
C9H10O3S
Durchschnittliche Molmasse
198,24 g/mol
Monoisotopische Masse
198,03506535

Namen und Bezeichner

Bevorzugter Name
5-Oxo-5-(2-thienyl)valeric acid
IUPAC
5-oxo-5-thiophen-2-ylpentanoic acid
Englischer Name
5-OXO-5-(2-THIENYL)VALERIC ACID
Summenformel
C9H10O3S
Molmasse
198.24

Namen und Synonyme

22971-62-65-Oxo-5-(thiophen-2-yl)pentanoic acid5-Oxo-5-(2-thienyl)valeric acid4-(2-thienoyl)butyric acid5-oxo-5-thiophen-2-ylpentanoic acidMFCD001518485-oxo-5-(2-thienyl)pentanoic acid2-Thiophenepentanoic acid, delta-oxo-NSC804125-Oxo-5-(thiophen-2-yl)pentanoicacidDTXSID50292130STR04830
Weitere Namen anzeigen
5-keto-5-(2-thienyl)valeric acid2-Thiophenepentanoic acid, δ-oxo-5-OXO-5-(2-THIENYL)VALERIC ACID 95%5-oxo-5-(2-Thienyl)valeric acid ,97%5-OXO-5-(2-THIENYL)VALERIC ACID ISO 9001：2015 REACHN'-[4-(hydroxymethyl)-2,5-diphenyl-3-pyrazolyl]-N,N-dimethylmethanimidamide
NSC-804125-(thien-2-yl)-5-oxopentanoic acidZ2348955215-oxo-5-thien-2-ylpentanoic acidFT-0616563A242424-(2-thenoyl)butyric acid5-(2-Thienoyl)butyric acid

Datenbank-Bezeichner

CAS
22971-62-6
PubChem CID
255155
DTXSID
DTXSID50292130
EC Number
681-852-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,4
Polarare Oberfläche (TPSA)
82,6 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
5
Schwere Atome
13

Physikochemische Eigenschaften

Schmelzpunkt
94 · 94-97°C
Siedepunkt
407.8 · 407.8±25.0 °C(Predicted)
Dichte
1.282 · 1.282±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C(protect from light)
pka
4.59 · 4.59±0.10(Predicted)
BRN
141775 · 141775

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (20%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 5 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

Hazard Classes and CategoriesSkin Sens. 1 (20%)；Eye Irrit. 2 (100%)

Sicherheitsdaten

hs_code
29349990
risk_code
36/37/38
safety_code
26-36

Chemie und Industrie

Vor- und nachgelagerte Produkte

Anbieter28 Anbieter

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

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