Basic information
- CAS
13080-86-9- Standard SMILES
CC(C)(c1ccc(Oc2ccc(N)cc2)cc1)c1ccc(Oc2ccc(N)cc2)cc1- InChIKey
KMKWGXGSGPYISJ-UHFFFAOYSA-N- Molecular formula
- C27H26N2O2
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.19942807
Names & identifiers
- Preferred name
- 4,4'-(Isopropylidenebis(4,1-phenyleneoxy))dianiline
- IUPAC
- 4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
- English name
- 2,2-Bis[4-(4-aminophenoxy)phenyl]propane
- Molecular formula
- C27H26N2O2
- Molecular weight
- 410.51
Names & synonyms
2,2-Bis[4-(4-aminophenoxy)phenyl]propaneBenzenamine, 4,4'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis-DTXSID50516504,4'-(Isopropylidenebis(4,1-phenyleneoxy))dianilineDTXCID9030202Benzenamine, 4,4'-((1-methylethylidene)bis(4,1-phenyleneoxy))bis-4,4'-[isopropylidenebis(4,1-phenyleneoxy)]dianiline2,2-bis(4-(4-aminophenoxy)phenyl)propaneRefChem:506488235-985-813080-86-94,4'-((Propane-2,2-diylbis(4,1-phenylene))bis(oxy))dianiline
Show more names
BAPP4,4′-(4,4′-Isopropylidenediphenyl-1,1′-Diyldioxy)Dianiline4-BAPOPP4,4'-(4,4'-IsopropylBisphenol A bis(4-aminophenyl) ether2,2’-bis(4-aminophenoxyphenyl)propane2,2'-Bis(4-aminophenoxyphenyl) propane
4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline4,4'-(4,4'-Isopropylidenediphenyl-1,1'-diyldioxy)dianiline158066-25-2MFCD000391524-(4-{2-[4-(4-aminophenoxy)phenyl]propan-2-yl}phenoxy)aniline2,2'-Bis(4-aminophenoxyphenyl) propane (BAPP)4,4'-Isopropylidenebis[(4-aminophenoxy)benzene]4,4/'-(4,4/'-Isopropylidenediphenyl-1,1/'-diyldioxy)dianiline
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 475
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section199.3 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5051650]
Physicochemical properties
- Melting point
- 127 · 127-130 °C(lit.)
- Boiling point
- 587.1 · 587.1±50.0 °C(Predicted)
- Density
- 1.178 · 1.178±0.06 g/cm3(Predicted)
- vapor pressure
- 0 · 0-0Pa at 20-25℃
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 5.16 · 5.16±0.10(Predicted)
- form
- Solid:particulate/powder
- Appearance
- White to off-white Solid
- Water Solubility
- Very slightly soluble in water. Soluble in acetone, Dimethyl sulfoxide(DMSO).
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, 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 71 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Hazard Traits - Bioaccumulation; Environmental Persistence
Status: Active Update: 30-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23308
2,2-Bis[4-(4-aminophenoxy)phenyl]propane: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CY1062500
- hs_code
- 29222990
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 4,4'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis-: ACTIVE
Applications
Description2,2-Bis[4-(4-aminophenoxy)phenyl]propane (BAPP), also known as 4,4'-(4,4'-Isopropylidenediphenyl-1,1'-diyldioxy)dianiline, is a diamino monomer with a diphenoxy-phenyl core. Since the molecule has two amine groups at both ends, it can be cross-linked with carboxylic acids or carboxylic dianhydrides to synthesize polyimides. It is commonly as a monomer for the preparation of polyimides in application of batteries, fuel cells, low dielectric materials and OLEDs.
Uses4,4'-(4,4'-Isopropylidenediphenyl-1,1'-diyldioxy)dianiline is used for preparation polyimide and epoxy resin material.
UsesIt is applied in pharmaceutical industry.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Related reactions
5 records
Compound notes
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