Benzimidazol-2-ylamin

2-Aminobenzimidazole

HCID 13624CAS 934-32-7
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Grundinformationen

Standard-SMILES
Nc1nc2ccccc2[nH]1
InChIKey
JWYUFVNJZUSCSM-UHFFFAOYSA-N
Summenformel
C7H7N3
Durchschnittliche Molmasse
133,15 g/mol
Monoisotopische Masse
133,06399722

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-27793DTXCID004465CHEBI:27822RefChem:465095
Weitere Namen anzeigen
usafek-40372-AMinobenziMiBenziMidazoloniMide2-aMinobenziMidazde2-BENZIMIDAZOLAMINE2-amino-benzimidazol
2-aminobenzimidazole monosulfate2-aminobenzimidazole monohydrochloride213-280-61H-Benzo[d]imidazol-2-amineBenzimidazole, 2-amino-2-Amino-1H-benzimidazole1H-1,3-benzodiazol-2-amineBenzimidazol-2-ylamine

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

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesFusion temperature
Pesticides · 3 Einträge

Pesticides -> Fungicides -> Benzimidazole fungicides -> Transformation products

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Pesticide degradation product

Solubility · 2 Einträge

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 · 6 Einträge

Positive

3.61

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Physikochemische Eigenschaften

Schmelzpunkt
226 · 226-230 °C (lit.)
Siedepunkt
235.67 °C · 235.67°C (rough estimate)
Dichte
1.1873 · 1.1873 (rough estimate)
Brechungsindex
1.5341 · 1.5341 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit
1 g/l · <1g/l slightly soluble

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 · 3 Einträge

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 · 1 Eintrag

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.

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Toxikologische Informationen

USGS Health-Based Screening Levels for Evaluating Water-Quality · 3 Einträge

2-Aminobenzimidazole

Pesticide degradation product

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29339990
RTECS-Nr.
DD5775000
risk_code
22-36/37/38-43
hazard_code
Xn

Chemie und Industrie

Verwendung und Herstellung

Use Classification · 3 Einträge

Transformation products

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Pesticides -> Fungicides -> Benzimidazole fungicides -> 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 · 1 Eintrag

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

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: 2-aminobenzimidazole is a member of the class of benzimidazoles that is benzimidazole in which the hydrogen at position 2 is replaced by an amino group. It has a role as a marine xenobiotic metabolite.

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