3-(4-Aminophenoxy)aniline

HCID 75871
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Basic information

CAS
2657-87-6
Standard SMILES
Nc1ccc(Oc2cccc(N)c2)cc1
InChIKey
ZBMISJGHVWNWTE-UHFFFAOYSA-N
Molecular formula
C12H12N2O
Average molar mass
200.24 g/mol
Monoisotopic mass
200.094963

Names & identifiers

Preferred name
3-(4-Aminophenoxy)aniline
IUPAC
3-(4-aminophenoxy)aniline
English name
3,4'-Oxydianiline
Molecular formula
C12H12N2O
Molecular weight
200.24

Names & synonyms

2657-87-63-(4-Aminophenoxy)aniline3,4'-Diaminodiphenyl EtherEINECS 220-190-0ZBMISJGHVWNWTE-UHFFFAOYSA-DTXSID80181144RefChem:492582DTXCID90103635220-190-0InChI=1/C12H12N2O/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H,13-14H23,4'-Oxydianiline3,4-oxydianiline
Show more names
DAPE3,4'-DPEJACS-2657-87-63,4'-0xydianiline3,4'-Diaminodiphenyl3,4'-Oxybis(aniline)
Benzenamine, 3-(4-aminophenoxy)-MFCD000360973,4'-Oxydianiline, 97%3,4'-Oxydianiline (3,4'-ODA)3,4'-Diamino diphenylether3,4'-oda3,4'-OxydiphenylamineSCHEMBL63373

Database identifiers

CAS
2657-87-6
PubChem CID
75871
DTXSID
DTXSID80181144
EC Number
220-190-0
Nikkaji
J32.005F

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
61.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
15

Physicochemical properties

Melting point
67 · 67-71 °C(lit.)
Boiling point
206.5 °C1 · 206.5 °C1 mm Hg(lit.)
Density
1.1131 · 1.1131 (rough estimate)
refractive index
1.666 · 1.6660 (estimate)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
solubility
Chloroform, Methanol

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301+H311+H331 (14%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P203, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 57 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (14%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
ridadr
UN2811 - class 6.1 - PG 2 - EHS - Toxic solids, organic, n.o.s., HI: all
hs_code
29222990
risk_code
36/37/38
Signal word
Danger

Chemistry & industry

Applications · 3 items

Description3,4'-Oxydianiline (3,4'-ODA) is a phenyl ether derivative capped at both ends with two amines in the para and meta positions. 3,4'-ODA is commonly used in the synthesis of polyimides which have multifunctional properties.3,4'-ODA is transparent and can be used as a substrate for displays. Polyimides are transparent and can be used as substrates for displays. 3,4'-ODA can also be used to synthesise organic porous materials with a BET surface area of up to 351 m2/g. Polyetherimide membranes made from this diamine structural unit show good permeation during water-isopropanol separation.

Uses3,4'-Oxydianiline is an ether organic substance and can be used as a pharmaceutical intermediate.

Uses3,4''-Diaminodiphenyl Ether, can be used for the synthesis of asymmetric soluble polyimides. It can also be used as a spacer in the preparation of glycine-based molecular tongs as inhibitors of β-amyloid peptide Aβ1-40 aggregation in vitro.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]

Related reactions

18 records
New reaction record

Compound notes

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