Basic information
- Standard SMILES
Nc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1- InChIKey
WUPRYUDHUFLKFL-UHFFFAOYSA-N- Molecular formula
- C18H16N2O2
- Average molar mass
- 292.3 g/mol
- Monoisotopic mass
- 292.12117775
Names & identifiers
- Preferred name
- Benzenamine, 4,4'-[1,3-phenylenebis(oxy)]bis-
- IUPAC
- 4-[3-(4-aminophenoxy)phenoxy]aniline
- English name
- 1,3-Bis(4-aMinophenoxy)benzene
- Molecular formula
- C18H16N2O2
- Molecular weight
- 292.33
Names & synonyms
1,3-Bis(4-aminophenoxy)benzene2479-46-1Resorcinol oxydianilineBenzenamine, 4,4'-[1,3-phenylenebis(oxy)]bis-4,4'-(m-Phenylenedioxy)dianiline1,3-Phenylene-di-4-aminophenyl etherCCRIS 6684ANILINE, p,p'-(m-PHENYLENEDIOXY)DI-BRN 0423316Benzenamine, 4,4'-(1,3-phenylenebis(oxy))bis-RefChem:561755628-902-5
Show more names
TPE-R1,3,4-APB4,4'-(1,3-phenylenebis(oxy))dianiline7FDA4,4'-(m-PhenyleRESORCINOLDIANILINE4,4'-(1,3-Phenylenedresorcinoloxydianiline4,4-(1,3-PHENEDIOXY)DIANILINE1,3-Bis(4'-Amino-phenoxyl)benz
4-[3-(4-aminophenoxy)phenoxy]aniline4,4'-(1,3-Phenylenedioxy)dianilineRODA1,3-Phenylenedi(4-aminophenyl ether)Resorcinol Bis(4-aminophenyl) EtherMFCD00039154DTXSID8051914SCHEMBL63594
Database identifiers
- CAS
2479-46-1- PubChem CID
- 17201
- DTXSID
DTXSID8051914- ChEMBL
CHEMBL1332684- EC Number
- 628-902-5
- Nikkaji
- J364.793E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 293
Experimental & physicochemical properties
Collision Cross Section177.7 Ų [M]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID8051914]
Physicochemical properties
- Melting point
- 115 · 115-118 °C(lit.)
- Boiling point
- 434.27 °C · 434.27°C (rough estimate)
- Density
- 1.1925 · 1.1925 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- very faint turbidity in Acetonitrile
- form
- powder to crystal
- pka
- 5.06 · 5.06±0.10(Predicted)
- color
- White to Brown
- InChI
- InChI=1S/C18H16N2O2/c19-13-4-8-15(9-5-13)21-17-2-1-3-18(12-17)22-16-10-6-14(20)7-11-16/h1-12H,19-20H2
- InChIKey
- WUPRYUDHUFLKFL-UHFFFAOYSA-N
- SMILES
- C1(OC2=CC=C(N)C=C2)=CC=CC(OC2=CC=C(N)C=C2)=C1
- CAS DataBase Reference
- 2479 · 2479-46-1(CAS DataBase Reference)
- EPA Substance Registry System
- 4 · Benzenamine, 4,4'-[1,3-phenylenebis(oxy)]bis- (2479-46-1)
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- RTECS
- 8236000 · BY8236000
- TSCA
- TSCA listed
- HS Code
- 29222990 · 29222990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Benzenamine, 4,4'-[1,3-phenylenebis(oxy)]bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, 4,4'-[1,3-phenylenebis(oxy)]bis- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BY8236000
- hs_code
- 29222990
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
General Manufacturing InformationBenzenamine, 4,4'-[1,3-phenylenebis(oxy)]bis-: ACTIVE
Applications
Uses1,3-Bis(4'-aminophenoxyl)benzene be used for the preparation of a polyimide material.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
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上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
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上海蓝润化学有限公司021-69515658 ; 69515628 13701998368 · [email protected]
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吉林中科研伸科技有限公司0431-80534353 19917294565 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
石家庄通洋进出口有限公司[email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
北京禾兴源科技有限公司18511709189 · [email protected]
Related reactions
3 records
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