2-Fluoro-4-(methoxycarbonyl)benzoic acid

HCID 59295093
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Grundinformationen

CAS
314241-04-8
Standard-SMILES
COC(=O)c1ccc(C(=O)O)c(F)c1
InChIKey
XRXCBKITDLPTEF-UHFFFAOYSA-N
Summenformel
C9H7FO4
Durchschnittliche Molmasse
198,15 g/mol
Monoisotopische Masse
198,03283686

Namen und Bezeichner

Bevorzugter Name
2-Fluoro-4-(methoxycarbonyl)benzoic acid
IUPAC
2-fluoro-4-methoxycarbonylbenzoic acid
Englischer Name
2-fluoro-4-(Methoxycarbonyl)benzoic acid
Summenformel
C9H7FO4
Molmasse
198.15

Namen und Synonyme

2-fluoro-4-(methoxycarbonyl)benzoic acid314241-04-8DTXSID00731468RefChem:87064DTXCID30682212812-939-0MFCD206404462-fluoro-4-methoxycarbonylbenzoic acid2-fluoro-4-(methoxycarbonyl)benzoicacid2-fluoro-4-methoxycarbonyl-benzoic acid1,4-Benzenedicarboxylic acid, 2-fluoro-, 4-methyl ester2-fluoro-4-(methoxycarbonyl)
Weitere Namen anzeigen
(methoxycarbonyl)​2-fluoro-4-(methoxycarbonyl)2-fluoro-4-(Methoxycarbonyl)benzoic acid95%
SCHEMBL2301205XRXCBKITDLPTEF-UHFFFAOYSA-NPMA24104XH1228AKOS0160091632-Fluoroterephthalic acid 4-methyl esterAS-50070SY117413

Datenbank-Bezeichner

CAS
314241-04-8
PubChem CID
59295093
DTXSID
DTXSID00731468
EC Number
812-939-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,4
Polarare Oberfläche (TPSA)
63,6 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
3
Schwere Atome
14

Physikochemische Eigenschaften

Schmelzpunkt
154 · 154-155 °C(Solv: ethyl acetate (141-78-6))
Siedepunkt
335.5 · 335.5±32.0 °C(Predicted)
Dichte
1.375 · 1.375±0.06 g/cm3(Predicted)
storage temp.
Store at room temperature
pka
2.84 · 2.84±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；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, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 3 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 CategoriesAcute Tox. 4 (66.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

Alarmwort
Warnung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Chemie und Industrie

Anwendungen

Verwenden2-Fluoro-4-(methoxycarbonyl)benzoic Acid is a reagent used in the preparation of diazepinylbenzoic acid, a retinoid x receptor antagonist.

Anbieter35 Anbieter

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
陕西宇鼎卓医药科技有限公司18992018580 18165105898 · [email protected]

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