1-Benzofuran-5-Carboxylic Acid
Grundinformationen
- CAS
90721-27-0- Standard-SMILES
O=C(O)c1ccc2occc2c1- InChIKey
GTWXSZIQNTUNKR-UHFFFAOYSA-N- Summenformel
- C9H6O3
- Durchschnittliche Molmasse
- 162,14 g/mol
- Monoisotopische Masse
- 162,03169405
Namen und Bezeichner
- Bevorzugter Name
- 1-Benzofuran-5-Carboxylic Acid
- IUPAC
- 1-benzofuran-5-carboxylic acid
- Englischer Name
- Benzofuran-5-carboxylic acid
- Summenformel
- C9H6O3
- Molmasse
- 162.14
Namen und Synonyme
1-Benzofuran-5-carboxylic acid90721-27-05-BENZOFURANCARBOXYLIC ACIDDTXSID20344276RefChem:429619DTXCID80295351815-002-4benzofuran-5-carboxylic acidBenzo[b]furan-5-carboxylic acidMFCD010067424ctjBenzofurane-5-carboxylic acid
Weitere Namen anzeigen
RARECHEM AL BE 13691-benzofunan-5-carboxylic acid3a,7a-dihydrobenzofuran-5-carboxylic acid1-Benzofuran-5-carboxylic acid, 5-Carboxybenzo[b]furan
SCHEMBL6638731-Benzofuran-5-carboxylic acid #STK373641AKOS000320425CS-W005955MB01638SDCCGMLS-0065940.P001EN300-149548
Datenbank-Bezeichner
- CAS
90721-27-0- PubChem CID
- 595656
- DTXSID
DTXSID20344276- UNII
- BW3ZT4XH9T
- EC Number
- 815-002-4、921-151-7
- Nikkaji
- J2.366.616B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 50,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 190
Physikochemische Eigenschaften
- Schmelzpunkt
- 189 · 189-190°C
- Siedepunkt
- 325.6 · 325.6±15.0 °C(Predicted)
- Dichte
- 1.363 · 1.363±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- solid
- pka
- 4.06 · 4.06±0.30(Predicted)
- InChI
- InChI=1S/C9H6O3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H,(H,10,11)
- InChIKey
- GTWXSZIQNTUNKR-UHFFFAOYSA-N
- SMILES
- O1C2=CC=C(C(O)=O)C=C2C=C1
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
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H320 (33.3%): Causes eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): 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 (66.7%)；Eye Irrit. 2A (66.7%)；Eye Irrit. 2 (33.3%)；STOT SE 3 (66.7%)
Sicherheitsdaten
- hs_code
- 2932990090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter100 Anbieter
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Zugehörige Reaktionen
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Notizen zur Verbindung
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