5-Fluoro-1H-indole-2-boronic acid, N-BOC protected
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Grundinformationen
- CAS
352359-23-0- Standard-SMILES
CC(C)(C)OC(=O)n1c(B(O)O)cc2cc(F)ccc21- InChIKey
TZHYEXHDCFQZGG-UHFFFAOYSA-N- Summenformel
- C13H15BFNO4
- Durchschnittliche Molmasse
- 279,07 g/mol
- Monoisotopische Masse
- 279,1078163
Namen und Bezeichner
- Bevorzugter Name
- 5-Fluoro-1H-indole-2-boronic acid, N-BOC protected
- IUPAC
- [5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
- Englischer Name
- 1-Boc-5-fluoroindole-2-boronic acid
- Summenformel
- C13H15BFNO4
- Molmasse
- 279.07
Namen und Synonyme
5-Fluoro-1H-indole-2-boronic acid, N-BOC protectedRefChem:535708672-923-2352359-23-01-Boc-5-fluoroindole-2-boronic acid1-boc-5-fluoro-1h-indole-2-boronic acid(1-(tert-Butoxycarbonyl)-5-fluoro-1H-indol-2-yl)boronic acidN-(BOC)-5-fluoroindole-2-boronic acidMFCD04114581[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic Acid5-fluoroindole-2-boronic acid, n-boc protectedDTXSID40376877
Weitere Namen anzeigen
1-BOC-5-FLUORO-2-INDOLEBORONIC ACID1-Boc-5-fluoroindole-2-boronic acid?NewN-Boc-5-fluoro-1H-indol-2-ylboronic acid5-FLUOROINDOLE-2-BORONIC ACID, 1-BOC PROTECTED5-Fluoroindole-2-boronicacid,N-BOCprotected95%N-(BOC)-5-fluoroindole-2-boronic acid - [B2336]
F301521-(tert-butoxycarbonyl)-5-fluoro-1H-indol-2-ylboronic acidN-Boc-5-fluoroindole-2-boronic acid[1-(tert-Butoxycarbonyl)-5-fluoro-1H-indol-2-yl]boronic acidFT-0644489N-Boc-5-fluoro-indole-2-SCHEMBL5945605-fluoro-1-tert-butoxycarbonylindole-2-boronic acid
Datenbank-Bezeichner
- CAS
352359-23-0- PubChem CID
- 2763292
- DTXSID
DTXSID40376877- EC Number
- 672-923-2
- Nikkaji
- J1.814.453K
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 71,7 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 374
Physikochemische Eigenschaften
- Schmelzpunkt
- 130 · 130-140
- Siedepunkt
- 446.5 · 446.5±55.0 °C(Predicted)
- Dichte
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- pka
- 7.79 · 7.79±0.30(Predicted)
- CAS Datenbank
- 352359 · 352359-23-0(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (33.3%): 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]；H373 (66.7%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, 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 6 reports by companies from 3 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 (33.3%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- hs_code
- 2933299090
- hazard_code
- Xi
- hazard_note
- Irritant/Keep Cold
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