1H-Benzimidazol-6-amine, 2-(4-aminophenyl)-
Basic information
- CAS
7621-86-5- Standard SMILES
Nc1ccc(-c2nc3ccc(N)cc3[nH]2)cc1- InChIKey
XAFOTXWPFVZQAZ-UHFFFAOYSA-N- Molecular formula
- C13H12N4
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.1061964
Names & identifiers
- Preferred name
- 1H-Benzimidazol-6-amine, 2-(4-aminophenyl)-
- IUPAC
- 2-(4-aminophenyl)-3H-benzimidazol-5-amine
- English name
- 2-(4-Aminophenyl)-1H-benzimidazol-5-amine
- Molecular formula
- C13H12N4
- Molecular weight
- 224.26
Names & synonyms
7621-86-52-(4-Aminophenyl)-1H-benzimidazol-5-amine2-(4-Aminophenyl)-5-aminobenzimidazole2-(4-Aminophenyl)-1H-benzimidazol-2-amineEINECS 231-538-6NSC 408148DTXSID00647551H-Benzimidazol-6-amine, 2-(4-aminophenyl)-Benzimidazol-5-amine, 2-(4-aminophenyl)-RefChem:237459DTXCID1047865231-538-6
Show more names
APBIA5-amino-2-(4-aminophenyl)benzodiazol5-Amino-2-(p-aminophenyl)benzimidazole4-(5-Amino-1H-benzimidazole-2-yl)aniline2-(4-aminophenyl)-1h-benzimidazol-5-amin5-Amino-2-(4-aminophenyl)-benzimidazolee2-(4-AMINOPHENYL)-1H-BENZIMIDAZOL-6-AMINE
XAFOTXWPFVZQAZ-UHFFFAOYSA-N2-(4-Aminophenyl)-1H-benzo[d]imidazol-5-amine5-amino-2-(4-aminophenyl)benzimidazole1H-Benzimidazol-5-amine, 2-(4-aminophenyl)-2-(4-aminophenyl)-3H-benzimidazol-5-amineMFCD004514752-(4-Amino-phenyl)-3H-benzoimidazol-5-ylamineBenzimidazole, 5-amino-2-(p-aminophenyl)-
Database identifiers
- CAS
7621-86-5- PubChem CID
- 24260
- DTXSID
DTXSID0064755- ChEMBL
CHEMBL1489074- EC Number
- 231-538-6
- Nikkaji
- J2.156.601B、J307.896E
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Melting point
- 234 to · 234.0 to 238.0 °C
- Boiling point
- 355.66 °C · 355.66°C (rough estimate)
- Density
- 1.2067 · 1.2067 (rough estimate)
- refractive index
- 1.589 · 1.5890 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 11.15 · 11.15±0.10(Predicted)
- color
- Pale Beige to Pale Brown
- λmax
- 335 nm · 335nm(EtOH)(lit.)
- InChI
- InChI=1S/C13H12N4/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,14-15H2,(H,16,17)
- InChIKey
- XAFOTXWPFVZQAZ-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=C(N)C=C2)NC2=CC(N)=CC=C2N=1
- EPA Substance Registry System
- 1 H-Benzimidazol-5-amine, · 1H-Benzimidazol-5-amine, 2-(4-aminophenyl)- (7621-86-5)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.7% (1 of 145) of reports.
Warning
H302 (97.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 145 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
1H-Benzimidazol-6-amine, 2-(4-aminophenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Benzimidazol-6-amine, 2-(4-aminophenyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Hazard Classes and CategoriesAcute Tox. 4 (97.2%)
Safety data
- tsca
- TSCA listed
- rtecs
- DD5421200
- hs_code
- 2933998090
- Toxicity
- LD50 orl-rat: 5 g/kg GISAAA 43(9),23,78
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- Hazard statements
- H315-H319-H335-H341
- Precautionary statements
- P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
General Manufacturing Information1H-Benzimidazol-6-amine, 2-(4-aminophenyl)-: ACTIVE
Applications
Uses2-(4-Aminophenyl)-1H-benzimidazol-5-amine is a useful as an aerogel lithium battery separator.
Description2-(4-Aminophenyl)-1H-benzimidazol-5-amine (APBIA) is a synthetic raw material for the preparation of sulfonated polyimides containing benzimidazole (SPIBIs). The synthesised SPIBIs with polyhedral oligomeric silsesquioxane glycidyl ethers (G-POSS) can be used to prepare a number of novel organic-inorganic hybrid proton exchange membranes (PEMs). The obtained membranes exhibited good crosslink density at all gel fractions above 75%. The mechanical properties, oxidative stability and hydrolytic stability of the crosslinked membranes were significantly improved compared with those of pure SPIBI membranes.
Uses2-(4-Aminophenyl)-1H-benzimidazol-5-amine is a useful as an aerogel lithium battery separator.
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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