Grundinformationen
- Standard-SMILES
O=C(O)Cc1c(F)cccc1Cl- InChIKey
GUAIAAXDEJZRBP-UHFFFAOYSA-N- Summenformel
- C8H6ClFO2
- Durchschnittliche Molmasse
- 188,58 g/mol
- Monoisotopische Masse
- 188,0040353
Namen und Bezeichner
- Bevorzugter Name
- 2-Chloro-6-fluorophenylacetic acid
- IUPAC
- 2-(2-chloro-6-fluorophenyl)acetic acid
- Lokaler Name
- 2-chlor-6-fluorphenylessigsaeure
- Englischer Name
- 2-Chloro-6-fluorophenylacetic acid
- Summenformel
- C8H6ClFO2
- Molmasse
- 188.58
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
37777-76-7- PubChem CID
- 123464
- DTXSID
DTXSID20191222- UNII
- AV46FT6W9Y
- EC Number
- 253-661-4
- Nikkaji
- J208.263B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 174
Physikochemische Eigenschaften
- Schmelzpunkt
- 120 · 120-123 °C(lit.)
- Siedepunkt
- 287.3 · 287.3±25.0 °C(Predicted)
- Dichte
- 1.3379 · 1.3379 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- Solid
- pka
- 3.77 · 3.77±0.10(Predicted)
- Farbe
- Off-White to Pale Yellow Crystalline
- BRN
- 4401142 · 4401142
- CAS Datenbank
- 37777 · 37777-76-7(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · 2-Chloro-6-fluorophenylacetic acid(37777-76-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (88.9%): 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 9 reports by companies from 6 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
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2916 39 90
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 22-24/25-26/37/39-37/39-26
- hazard_class
- IRRITANT
Chemie und Industrie
Anwendungen
Verwenden2-Chloro-6-fluorophenylacetic Acid (cas# 37777-76-7) is a compound useful in organic synthesis.
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