Benzimidazol-2-ylamin
2-Aminobenzimidazole
Grundinformationen
- CAS
934-32-7- Standard-SMILES
Nc1nc2ccccc2[nH]1- InChIKey
JWYUFVNJZUSCSM-UHFFFAOYSA-N- Summenformel
- C7H7N3
- Durchschnittliche Molmasse
- 133,15 g/mol
- Monoisotopische Masse
- 133,06399724
Überblick
Plates (in water); white powder. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- 2-Aminobenzimidazole
- IUPAC
- 1H-benzimidazol-2-amine
- Lokaler Name
- Benzimidazol-2-ylamin
- Englischer Name
- 2-Aminobenzimidazole
- Summenformel
- C7H7N3
- Molmasse
- 133.15
Namen und Synonyme
2-AMINOBENZIMIDAZOLE934-32-71H-Benzimidazol-2-amine2-IminobenzimidazolineUSAF EK-4037DTXSID1024465E65DE7521VNSC-7628NSC-27793DTXCID0044652-aminobenzimidazole monosulfateCHEBI:27822
Weitere Namen anzeigen
usafek-40372-AMinobenziMiBenziMidazoloniMide2-aMinobenziMidazde2-BENZIMIDAZOLAMINE2-amino-benzimidazol
2-aminobenzimidazole monohydrochlorideRefChem:465095213-280-61H-Benzo[d]imidazol-2-amineBenzimidazole, 2-amino-2-Amino-1H-benzimidazoleBenzimidazol-2-ylamine1H-1,3-benzodiazol-2-amine
Datenbank-Bezeichner
- CAS
934-32-7- PubChem CID
- 13624
- DTXSID
DTXSID1024465- ChEMBL
CHEMBL305513- ChEBI
CHEBI:27822- UNII
- E65DE7521V
- EC Number
- 213-280-6
- Nikkaji
- J3.655B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 54,7 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 126
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesFusion temperature
Pesticides
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Pesticides -> Fungicides -> Benzimidazole fungicides -> Transformation products
Pesticide degradation product
LogP1.34
Solubility
less than 1 mg/mL at 68 °F (NTP, 1992)
>20 [ug/mL] (The mean of the results at pH 7.4)
Melting Point435 °F (NTP, 1992)
Physical DescriptionPlates (in water); white powder. (NTP, 1992)
Ionization Efficiency
Positive
3.61
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Collision Cross Section126.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID1024465]
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 111 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 1H-Benzimidazol-2-amine
Commission Regulation No 844/2012
1H-Benzimidazol-2-amine: Does not have an individual approval but may be used under an appropriate group standard
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes of nitrogen oxides. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
2-AMINOBENZIMIDAZOLE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. May generate hydrogen, a flammable gas, in combination with strong reducing agents such as hydrides.
Air and Water ReactionsInsoluble in water.
Chemie und Industrie
Verwendung und Herstellung
Use Classification
Pesticides -> Fungicides -> Benzimidazole fungicides -> Transformation products
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Transformation products
General Manufacturing Information1H-Benzimidazol-2-amine: ACTIVE
Anwendungen
BeschreibungDas 2-Aminobenzimidazol bildet hellbraune, in Wasser unlösliche Blättchen. Die Verbindung besitzt nur wissenschaftliches Interesse.
Darstellung
synthetischeSynthesis of 2-aminobenzimidazole: Cyanogen bromide (3.5 g., 0.034 mole) was added in small portions, with shaking, to a suspension of o-phenylenediamine (4.2 g. , 0.34 mole) in water (40 ml), the exothermic reaction mixture was cooled to room temperature and it was stirred for 36hrs. The solution was filtered after standing overnight. Sodium hydroxide (1.4 g., 0.034 mole) in 30 ml of water was then added and the solution was evaporated. The solid thus obtained was filtered and recrystalized from water. Yield 85%, m.p. 228 - 230°C
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