Basic information
- Standard SMILES
Nc1nc2ccccc2[nH]1- InChIKey
JWYUFVNJZUSCSM-UHFFFAOYSA-N- Molecular formula
- C7H7N3
- Average molar mass
- 133.15 g/mol
- Monoisotopic mass
- 133.06399722
Overview
Plates (in water); white powder. (NTP, 1992)
Names & identifiers
- Preferred name
- 2-Aminobenzimidazole
- IUPAC
- 1H-benzimidazol-2-amine
- English name
- 2-Aminobenzimidazole
- Molecular formula
- C7H7N3
- Molecular weight
- 133.15
Names & synonyms
2-AMINOBENZIMIDAZOLE934-32-71H-Benzimidazol-2-amine2-IminobenzimidazolineUSAF EK-4037DTXSID1024465E65DE7521VNSC-7628NSC-27793DTXCID004465CHEBI:27822RefChem:465095
Show more names
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
Database identifiers
- CAS
934-32-7- PubChem CID
- 13624
- DTXSID
DTXSID1024465- ChEMBL
CHEMBL305513- ChEBI
CHEBI:27822- UNII
- E65DE7521V
- EC Number
- 213-280-6
- Nikkaji
- J3.655B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 126
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
Pesticides
Pesticides -> Fungicides -> Benzimidazole fungicides -> Transformation products
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Pesticide degradation product
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]
Physicochemical properties
- Melting point
- 226 · 226-230 °C (lit.)
- Boiling point
- 235.67 °C · 235.67°C (rough estimate)
- Density
- 1.1873 · 1.1873 (rough estimate)
- refractive index
- 1.5341 · 1.5341 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- 1 g/l · <1g/l slightly soluble
- pka
- 11.41 · 11.41±0.10(Predicted)
- form
- Crystalline Powder, Crystals or Flakes
- color
- Yellow to beige or light brown
- Water Solubility
- Soluble in water (Slightly).
- BRN
- 116525 · 116525
- Major Application
- agricultureenvironmental
- InChI
- 1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)
- InChIKey
- JWYUFVNJZUSCSM-UHFFFAOYSA-N
- SMILES
- Nc1nc2ccccc2[nH]1
- CAS DataBase Reference
- 934 · 934-32-7(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 65 DE7521V · E65DE7521V
- NIST Chemistry Reference
- 2 · 2-Aminobenzimidazole(934-32-7)
- EPA Substance Registry System
- 2 · 2-Aminobenzimidazole (934-32-7)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P501
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/37/38-43
- Safety Statements
- 26 · 26-36/37/39-22
- WGK Germany
- 3 · 3
- RTECS
- 5775000 · DD5775000
- TSCA
- TSCA listed
- HS Code
- 29339990 · 29339990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
GHS classification
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.
Hazard information
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.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety & protection
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
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
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)
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)
Toxicology
USGS Health-Based Screening Levels for Evaluating Water-Quality
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
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DD5775000
- hs_code
- 29339990
- risk_code
- 22-36/37/38-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39-22
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Uses & manufacturing
Use Classification
Transformation products
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Pesticides -> Fungicides -> Benzimidazole fungicides -> Transformation products
General Manufacturing Information1H-Benzimidazol-2-amine: ACTIVE
Applications
Uses2-Aminobenzimidazole was used in the hydrolysis of a choline carbonate. It was also used in the synthesis of imidazo[1,2-a]benzimidazoles.
General DescriptionPlates (in water); white powder.
Preparation methods
PreparationSynthesis 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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Additional notes
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.
Related reactions
178 records
Linked notes
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