Benzenamine, 3,3'-(1,3-phenylenebis(oxy))bis-

HCID 66342

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Basic information

CAS: 10526-07-5
Standard SMILES: Nc1cccc(Oc2cccc(Oc3cccc(N)c3)c2)c1
InChIKey: DKKYOQYISDAQER-UHFFFAOYSA-N
Molecular formula: C18H16N2O2
Average molar mass: 292.3 g/mol
Monoisotopic mass: 292.12117775

Names & identifiers

Preferred name: Benzenamine, 3,3'-(1,3-phenylenebis(oxy))bis-
IUPAC: 3-[3-(3-aminophenoxy)phenoxy]aniline
English name: 1,3-Bis(3-aminophenoxy)benzene
Molecular formula: C18H16N2O2
Molecular weight: 292.33

Names & synonyms

1,3-Bis(3-aminophenoxy)benzeneBenzenamine, 3,3'-[1,3-phenylenebis(oxy)]bis-3,3'-(m-Phenylenedioxy)dianilineEINECS 234-082-6DTXSID4065109Benzenamine, 3,3'-(1,3-phenylenebis(oxy))bis-3,3'-[m-phenylenebis(oxy)]dianiline3,3'-(m-Phenylenebis(oxy))dianilineRefChem:561702DTXCID5032943234-082-610526-07-5

Show more names

TPE-M1,3,3-APBAPB-133TIMTEC-BB SBB0083561,3-BIS(3-AMINOPHENO1,3-Bis(3-aminophenoxy3,3'-Phenylenedioxydianiline1,3-Bis(m-aminophenoxy)benzene

3,3'-(1,3-Phenylenebis(oxy))dianiline3-[3-(3-aminophenoxy)phenoxy]anilineMFCD000437183,3'-[1,3-Phenylenebis(oxy)]dianiline3-[3-(3-Aminophenoxy)phenoxy]phenylamine3,3'-(1,3-Phenylenedioxy)dianiline-15N2Resorcinol Bis(3-aminophenyl) Ether1,3-bis-(3-Aminophenoxy)benzene

Database identifiers

CAS: 10526-07-5
PubChem CID: 66342
DTXSID: DTXSID4065109
EC Number: 234-082-6
Nikkaji: J105.954H

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 70.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 309

Physicochemical properties

Melting point: 108 °C · 108°C
Boiling point: 479.9 · 479.9±30.0 °C(Predicted)
Density: 1.243 · 1.243
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Water Solubility: Insoluble in water
solubility: Slightly soluble in methanol
form: powder to crystal
pka: 4.29 · 4.29±0.10(Predicted)
color: White to Light yellow to Light orange
InChI: InChI=1S/C18H16N2O2/c19-13-4-1-6-15(10-13)21-17-8-3-9-18(12-17)22-16-7-2-5-14(20)11-16/h1-12H,19-20H2
InChIKey: DKKYOQYISDAQER-UHFFFAOYSA-N
SMILES: C1(OC2C=CC=C(N)C=2)=CC=CC(OC2C=CC=C(N)C=2)=C1
CAS DataBase Reference: 10526 · 10526-07-5(CAS DataBase Reference)
EPA Substance Registry System: 3 · Benzenamine, 3,3'-[1,3-phenylenebis(oxy)]bis- (10526-07-5)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
Risk Statements: 20 · 20/21/22
Safety Statements: 26 · 26-36/37/39
TSCA: TSCA listed
HS Code: 29222990 · 29222990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

tsca: TSCA listed
hs_code: 29222990
risk_code: 20/21/22
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H302+H312+H332
Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenamine, 3,3'-[1,3-phenylenebis(oxy)]bis-: ACTIVE

Applications

Uses1,3-Bis(3-aminophenoxy)benzene is an intermediate compound used in the production of synthetic materials, such as PI (polyimide) films and polyimide materials.

Preparation methods · 1 item

Preparation1,3-Bis(3-aminophenoxy)benzene is a reactive monomer commonly utilized in the synthesis of polyurethane coatings. This compound is processed at 200 degrees Celsius and has a viscosity of 1.5-2.0 centipoise at 25 degrees Celsius. Its chemical structure consists of three amine groups that are ether linked to a benzene ring with one hydroxyl group on the phenoxy side chain. The monomer can be synthesized via acylation reaction or polymerization process, typically through heating with a catalyst. The resulting product is thermally stable and resistant to heat up to 250 degrees Celsius.