Grundinformationen
- CAS
615-16-7- Standard-SMILES
O=c1[nH]c2ccccc2[nH]1- InChIKey
SILNNFMWIMZVEQ-UHFFFAOYSA-N- Summenformel
- C7H6N2O
- Durchschnittliche Molmasse
- 134,14 g/mol
- Monoisotopische Masse
- 134,04801281
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 2-Hydroxy benzimidazole
- IUPAC
- 1,3-dihydrobenzimidazol-2-one
- Lokaler Name
- 2-Hydroxybenzimidazol
- Englischer Name
- 2-Hydroxybenzimidazole
- Summenformel
- C7H6N2O
- Molmasse
- 134.14
Namen und Synonyme
2-hydroxy benzimidazoleRefChem:4655332-Hydroxybenzimidazole615-16-7o-Phenyleneurea1H-Benzimidazol-2-ol2-BENZIMIDAZOLINONE2-Benzimidazolol2-Benzimidazolone1,3-dihydrobenzimidazol-2-one102976-62-52H-Benzimidazol-2-one, 1,3-dihydro-
Weitere Namen anzeigen
1H-BENZO[D]IMIDAZOL-2(3H)-ONE1,3-dihydro-2H-benzo[d]imidazol-2-one1H-benzo[d]iMidazol-2-ol1,3-DIHYDRO-BENZOIMIDAZOL-2-ONERabeprazole Sodium Impurity K
1,3-Dihydro-2H-benzimidazol-2-one2(3H)-Benzimidazolone2-OxobenzimidazoleBenzamidazole-2(3H)-one2H-Benzimidazol2(3H)-OxobenzimidazoleN,N'-(1,2-Phenyleneurea)NSC 10383
Datenbank-Bezeichner
- CAS
615-16-7- PubChem CID
- 11985
- DTXSID
DTXSID0060642- ChEMBL
CHEMBL2152713- UNII
- CV8118UZEW
- EC Number
- 210-412-4
- Nikkaji
- J4.402D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 41,1 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 142
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
LogP1.12
Physikochemische Eigenschaften
- Schmelzpunkt
- 300 °C · >300 °C (lit.)
- Siedepunkt
- 247.23 °C · 247.23°C (rough estimate)
- Dichte
- 1.2296 · 1.2296 (rough estimate)
- Brechungsindex
- 1.588 · 1.5880 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- 0.543 g/l · 0.543g/l
- Aggregatzustand
- Crystalline Powder
- pka
- 11.95 · 11.95±0.10(Predicted)
- Farbe
- Off-white to pale brown
- Wasserlöslichkeit
- insoluble
- BRN
- 119866 · 119866
- InChI
- 1S/C7H6N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)
- InChIKey
- SILNNFMWIMZVEQ-UHFFFAOYSA-N
- SMILES
- O=C1Nc2ccccc2N1
- LogP
- 1.17 at · 1.17 at 23℃ and pH6.2-6.4
- CAS Datenbank
- 615 · 615-16-7(CAS DataBase Reference)
- NIST chemische Informationen
- 2 H-Benzimidazol-2-one, · 2H-Benzimidazol-2-one, 1,3-dihydro-(615-16-7)
- EPA chemische Informationen
- 2 H-Benzimidazol-2-one, · 2H-Benzimidazol-2-one, 1,3-dihydro- (615-16-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (99.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 109 reports by companies from 5 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 13-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/1876
Hazard Classes and CategoriesAcute Tox. 4 (99.1%)
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29339990
- RTECS-Nr.
- DE1625000
- risk_code
- 36/37/38
- Toxizität
- LD50 scu-mus: 620 mg/kg ARZNAD 8,42,58
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 22-24/25-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information2H-Benzimidazol-2-one, 1,3-dihydro-: ACTIVE
Anwendungen
Verwenden2-Hydroxybenzimidazole (Lansoprazole EP Impurity D(Rabeprazole EP Impurity K)) is a metabolite of the neuroleptic Droperidol (D679500).
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