2-(3-Chloro-4-fluorophenyl)acetic acid

HCID 2773721
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Grundinformationen

CAS
705-79-3
Standard-SMILES
O=C(O)Cc1ccc(F)c(Cl)c1
InChIKey
WGODGMOMOMNTRN-UHFFFAOYSA-N
Summenformel
C8H6ClFO2
Durchschnittliche Molmasse
188,58 g/mol
Monoisotopische Masse
188,0040353

Namen und Bezeichner

Bevorzugter Name
2-(3-Chloro-4-fluorophenyl)acetic acid
IUPAC
2-(3-chloro-4-fluorophenyl)acetic acid
Englischer Name
3-CHLORO-4-FLUOROPHENYLACETIC ACID
Summenformel
C8H6ClFO2
Molmasse
188.58

Namen und Synonyme

2-(3-chloro-4-fluorophenyl)acetic acidRefChem:455332642-513-83-Chloro-4-fluorophenylacetic acid705-79-3MFCD01631555(3-chloro-4-fluorophenyl)acetic acidSCHEMBL869116DTXSID90378669AKOS005257944CS-W016774AC-9781
Weitere Namen anzeigen
3-Chloro-4-fluorobenzeneacetic acidRARECHEM AL BO 0953Acid 3-chloro-4-fluoro3-Chloro-4-fluorphenylaceticacidBenzeneacetic acid, 3-chloro-4-fluoro-3-Chloro-4-fluorophenylacetic acid 99%3-CHLORO-4-FLUOROPHENYLACETIC ACID ISO 9001：2015 REACH(3-Chloro-4-fluorophenyl)acetic acid, 2-(3-Chloro-4-fluorophenyl)ethanoic acid
DS-0694PB47622PS-8435SY0192123-Chloro-4-fluorobenzeneacetic Acid; 2-(3-Chloro-4-fluorophenyl)acetic Acid;2-(3-chloro-4-fluoro-phenyl)acetic AcidSBB064032DB-030912

Datenbank-Bezeichner

CAS
705-79-3
PubChem CID
2773721
DTXSID
DTXSID90378669
EC Number
642-513-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
2
Schwere Atome
12

Physikochemische Eigenschaften

Schmelzpunkt
55 · 55-58°C
Siedepunkt
302 · 302.0±27.0 °C(Predicted)
Dichte
1.417 · 1.417±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
Chloroform, DMSO (Slightly), Methanol (Slightly)
Aggregatzustand
Solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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

Aggregated GHS information provided per 8 reports by companies from 4 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 Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

hs_code
2918290090
risk_code
36/37/38-22
hazard_code
Xi,Xn
safety_code
26-36/37/39
hazard_class
IRRITANT

Chemie und Industrie

Anwendungen

Verwenden3-Chloro-4-fluorophenylacetic Acid is a useful intermediate for organic synthesis.

Vor- und nachgelagerte Produkte

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南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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