4-bromo-1H-pyrrole-2-carboxylic acid
Grundinformationen
- CAS
27746-02-7- Standard-SMILES
O=C(O)c1cc(Br)c[nH]1- InChIKey
YUWKEVJEMKKVGQ-UHFFFAOYSA-N- Summenformel
- C5H4BrNO2
- Durchschnittliche Molmasse
- 189,99 g/mol
- Monoisotopische Masse
- 188,94254
Namen und Bezeichner
- Bevorzugter Name
- 4-bromo-1H-pyrrole-2-carboxylic acid
- IUPAC
- 4-bromo-1H-pyrrole-2-carboxylic acid
- Englischer Name
- 4-Bromopyrrole-2-carboxylic acid
- Summenformel
- C5H4BrNO2
- Molmasse
- 189.99
Namen und Synonyme
4-bromo-1H-pyrrole-2-carboxylic Acid27746-02-7DTXSID30372424RefChem:519066DTXCID30323456639-272-64-Bromopyrrole-2-carboxylic acid1H-Pyrrole-2-carboxylic acid, 4-bromo-MFCD008328624-Bromo-1H-pyrrole-2-carboxylicacid1H-Pyrrole-2-carboxylicacid,4-bromo-SCHEMBL1928760
Weitere Namen anzeigen
RARECHEM AL BE 12644-Bromo-1H-pyrrole-2-carboxylicaci4-Bromo-1H-pyrrol-2-carboxylic acid4-Bromo-1H-pyrrole-2-carboxylic acid, 95+%4-bromo-1H-pyrrole-2-carboxylic acid(SALTDATA: FREE)
YUWKEVJEMKKVGQ-UHFFFAOYSA-NCS-D04592-Pyrrolecarboxylic acid, 4-bromo-CL2806SBB091024AKOS001108081HB-0734SB62044
Datenbank-Bezeichner
- CAS
27746-02-7- PubChem CID
- 2741381
- DTXSID
DTXSID30372424- EC Number
- 639-272-6
- Nikkaji
- J1.768.197D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 53,1 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 128
Physikochemische Eigenschaften
- Schmelzpunkt
- 168 · 168-170°C
- Siedepunkt
- 393 · 393.0±27.0 °C(Predicted)
- Dichte
- 1.969 · 1.969±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Aggregatzustand
- powder
- pka
- 4.06 · 4.06±0.10(Predicted)
- Farbe
- light beige
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (33.3%): 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 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 CategoriesAcute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- hs_code
- 2933998090
- hazard_code
- Xi
- hazard_class
- IRRITANT
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