5-Bromonaproxen, (S)-

Einecs 282-475-6 · (+)-Bromonaproxen · Naproxen Impurity C · (S)-5-BroMo Naproxen · (2S)-2-(5-Bromo-6-methoxynaphthalen · Naproxen EP Impurity C (5-Bromo Naproxen) · Naproxen Impurity 3（Naproxen EP Impurity C） · 2(S)-(5-bromo-6-methoxy-2-naphthyl)propanoic acid

https://huagongshe.com/de/chemical/11529664

Molekülstruktur von 5-Bromonaproxen, (S)-

Identifikatoren & physikalische Daten

CAS No.	84236-26-0
Summenformel	C14H13BrO3
Durchschnittliche Molmasse	309,15 g/mol
Monoisotopische Masse	308,00481 g/mol
SMILES	COc1ccc2cc([C@H](C)C(=O)O)ccc2c1Br
InChIKey	JZRWXNBIQCMXSU-QMMMGPOBSA-N
PubChem CID	11529664
EC No.	282-475-6

Chemische & physikalische Eigenschaften

XLogP	3,9
Polarare Oberfläche (TPSA)	46,5
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	3
Schwere Atome	18
Formalladung	0
Komplexität	307
Schmelzpunkt	155-157 °C
Siedepunkt	446.2±30.0 °C(Predicted)
Dichte	1.483±0.06 g/cm3(Predicted)
Löslichkeit	Chloroform (Sparingly), Methanol (Slightly)
pKa (Säurekonstante)	4.72±0.30(Predicted)
Aggregatzustand	Solid
Farbe	Pale Beige
Hauptanwendungen	pharmaceutical
InChI	1S/C14H13BrO3/c1-8(14(16)17)9-3-5-11-10(7-9)4-6-12(18-2)13(11)15/h3-8H,1-2H3,(H,16,17)/t8-/m0/s1
InChIKey	JZRWXNBIQCMXSU-QMMMGPOBSA-N
SMILES	C[C@H](C(O)=O)C1=CC2=CC=C(OC)C(Br)=C2C=C1

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H361fd (50%): Suspected of damaging fertilitySuspected of damaging the unborn child [Warning Reproductive toxicity]H411 (50%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 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.
Hazard Classes and Categories	Acute Tox. 4 (100%)Skin Irrit. 2 (50%)Eye Irrit. 2 (50%)STOT SE 3 (50%)Repr. 2 (50%)Aquatic Chronic 2 (50%)
Wassergefährdungsklasse (WGK)	WGK 3
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Acute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Repr. 2Skin Irrit. 2STOT SE 3

Anwendungen & Verwendung

Verwenden

(S)-5-Bromo Naproxen is an impurity of (S)-Naproxen (N377520).