Basic information
- CAS
25834-80-4- Standard SMILES
Nc1ccc(Cc2ccc(N)c(Cc3ccc(N)cc3)c2)cc1- InChIKey
KKVLCJIOPNYOQN-UHFFFAOYSA-N- Molecular formula
- C20H21N3
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.17354768
Overview
2,4-bis(p-aminobenzyl)aniline is a brown solid. (NTP, 1992)
Names & identifiers
- Preferred name
- 2,4-Bis(p-aminobenzyl)aniline
- IUPAC
- 2,4-bis[(4-aminophenyl)methyl]aniline
- English name
- 2,4-bis(p-aminobenzyl)aniline
- Molecular formula
- C20H21N3
- Molecular weight
- 303.4
Names & synonyms
2,4-Bis(p-aminobenzyl)anilineCCRIS 5970Benzenamine, 2,4-bis[(4-aminophenyl)methyl]-EINECS 247-291-2BRN 28802912,4-bis(4-aminobenzyl)anilineBenzenamine, 2,4-bis((4-aminophenyl)methyl)-2,4-BIS((4-AMINOPHENYL)METHYL)BENZENAMINEDTXSID80246064-[2-Amino-5-(4-aminobenzyl)benzyl]phenylamine2,4-Bis[(4-aminophenyl)methyl]benzenamine4-(2-Amino-5-(4-aminobenzyl)benzyl)phenylamine
Show more names
2,4-Bis-(p-aminobenzyl)-anilin2,4-Bis[(4-aminophenyl)methyl]aniline
RefChem:82220DTXCID0046063-(P-AMINOBENZYL)-4,4'-DIAMINODIPHENYLMETHANEALPHA,ALPHA'-BIS(P-AMINOPHENYL)-2,4-XYLIDINE2,4-XYLIDINE, ALPHA,ALPHA'-BIS(P-AMINOPHENYL)-247-291-2KKVLCJIOPNYOQN-UHFFFAOYSA-N25834-80-4
Database identifiers
- CAS
25834-80-4- PubChem CID
- 33182
- DTXSID
DTXSID8024606
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 343
Experimental & physicochemical properties
Solubilityless than 1 mg/mL at 70.7 °F (NTP, 1992)
Physical Description2,4-bis(p-aminobenzyl)aniline is a brown solid. (NTP, 1992)
Physicochemical properties
- Melting point
- 133 · 133-135 °C
- Boiling point
- 434.33 °C · 434.33°C (rough estimate)
- Density
- 1.0837 · 1.0837 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 5.16 · 5.16±0.25(Predicted)
- Stability
- Incompatible with strong oxidizing agents, strong acids.
- CAS DataBase Reference
- 25834 · 25834-80-4
- EPA Substance Registry System
- 2 · 2,4-Bis(p-aminobenzyl)aniline (25834-80-4)
- TSCA
- TSCA listed
- Toxicity
- 33 mLg/plate · mic-sat 33 mLg/plate EMMUEG 19(Suppl 21),2,1992
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzenamine, 2,4-bis[(4-aminophenyl)methyl]-
Fire HazardsFlash point data for this chemical are not available, however it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin and mucous membranes.
Reactive GroupAmines, Aromatic
Reactivity Profile2,4-BIS(P-AMINOBENZYL)ANILINE can react with strong acids and oxidizing agents. (NTP, 1992)
Air and Water Reactionsit may be sensitive to air and/or light. Insoluble in water.
Safety & protection
Fire FightingFires involving this compound can be controlled using 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: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone 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.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 2,4-bis[(4-aminophenyl)methyl]-: ACTIVE
Applications
General DescriptionBrown solid.
Suppliers2 total
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
3 records
Compound notes
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