Basic information
- Standard SMILES
Nc1ccc(Oc2ccc(N)cc2)cc1- InChIKey
HLBLWEWZXPIGSM-UHFFFAOYSA-N- Molecular formula
- C12H12N2O
- Average molar mass
- 200.24 g/mol
- Monoisotopic mass
- 200.09496301
Names & identifiers
- Preferred name
- 4,4'-Diaminodiphenyl Ether
- IUPAC
- 4-(4-aminophenoxy)aniline
- English name
- 4,4'-Oxydianiline
- Molecular formula
- C12H12N2O
- Molecular weight
- 200.24
Names & synonyms
4,4'-Oxydianiline101-80-44,4'-Diaminodiphenyl ether4,4-Oxydianiline4-Aminophenyl etherOxydianilineDiaminodiphenyl etherDadpeBis(p-aminophenyl) etherBis(4-aminophenyl) ether4,4'-Oxybisbenzenaminep,p'-Oxydianiline
Show more names
ODAODC4,4'-ODA
Benzenamine, 4,4'-oxybis-p-Aminophenyl ether4,4-Diaminodiphenyl etherp,p'-Oxybis(aniline)4,4'-OxydiphenylamineOxydi-p-phenylenediamineAniline, 4,4'-oxydi-p,p'-Diaminodiphenyl ether
Database identifiers
- CAS
101-80-4- PubChem CID
- 7579
- DTXSID
DTXSID0021094- ChEMBL
CHEMBL354663- ChEBI
CHEBI:34384- UNII
- 28DLB4Z70T
- EC Number
- 202-977-0
- Nikkaji
- J38.182I
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Melting point
- 188 · 188-192 °C(lit.)
- Boiling point
- 190 °C · 190 °C (0.1 mmHg)
- Density
- 1.1131 · 1.1131 (rough estimate)
- vapor pressure
- 10 mm · 10 mm Hg ( 240 °C)
- refractive index
- 1.666 · 1.6660 (estimate)
- Flash point
- 426 °F · 426 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 5.49 · 5.49±0.10(Predicted)
- color
- White
- Water Solubility
- 0.01 g/100 · Insoluble. <0.01 g/100 mL at 15 ºC
- BRN
- 475735 · 475735
- Henry's Law Constant
- 6.6 · 6.6×105 mol/(m3Pa) at 25℃, HSDB (2015)
- Stability
- Stable. Combustible. Incompatible with strong oxidizing agents. Hygroscopic.
- Major Application
- cleaning productscosmeticsenvironmentalfood and beveragespersonal care
- InChI
- 1S/C12H12N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2
- InChIKey
- HLBLWEWZXPIGSM-UHFFFAOYSA-N
- SMILES
- Nc1ccc(Oc2ccc(N)cc2)cc1
- LogP
- 0.72 at · 0.72 at 20℃
- Toxicology and Carcinogenesis
- 4 · Bioassay of 4,4'-Oxydianiline for Possible Carcinogenicity (CASRN 101-80-4)
- Substances of Very High Concern (SVHC) Candidate List
- 4 · 4,4'-oxydianiline and its salts (101-80-4)
- CAS DataBase Reference
- 101 · 101-80-4(CAS DataBase Reference)
- FDA UNII
- 28 DLB4Z70T · 28DLB4Z70T
- Proposition 65 List
- 4 · 4,4'-Diaminodiphenyl ether (4,4'-Oxydianiline)
- NIST Chemistry Reference
- 4 · Benzenamine, 4,4'-oxybis-(101-80-4)
- IARC
- 2 B · 2B (Vol. 29, Sup 7) 1987
- EPA Substance Registry System
- 4 · 4,4'-Diaminodiphenyl ether (101-80-4)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 6 · GHS06,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-H317-H340-H350-H361f-H410
- Precautionary statements
- 202 · P202-P273-P280-P301+P310-P302+P352+P312-P304+P340+P311
- target organs
- Thyroid
- Hazard Codes
- T,N
- Risk Statements
- 45 · 45-46-23/24/25-51/53-62-36/37/38-22-50/53-43
- Safety Statements
- 53 · 53-45-61-36/37-26-20-60
- RIDADR
- 3077 · UN 3077 9/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 7900000 · BY7900000
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29222900 · 29222900
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 1Carc. 1BMuta. 1BRepr. 2Skin Sens. 1STOT RE 2 Oral
- Hazardous Substances Data
- 101 · 101-80-4(Hazardous Substances Data)
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 725 mg/kg HYSAAV 33,137,68
- REACH Registrations
- Active
Safety & regulation
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BY7900000
- ridadr
- UN 3077 9/PG 3
- hs_code
- 29222900
- Toxicity
- LD50 orl-rat: 725 mg/kg HYSAAV 33,137,68
- risk_code
- 45-46-23/24/25-51/53-62-36/37/38-22-50/53-43
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08,GHS09
- hazard_code
- T,N
- safety_code
- 53-45-61-36/37-26-20-60
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- target organs
- Thyroid
- Hazard statements
- H301+H311+H331-H317-H340-H350-H361f-H410
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 1Carc. 1BMuta. 1BRepr. 2Skin Sens. 1STOT RE 2 Oral
- Precautionary statements
- P202-P273-P280-P301+P310-P302+P352+P312-P304+P340+P311
- Hazardous Substances Data
- 101-80-4(Hazardous Substances Data)
Chemistry & industry
Applications
UsesBis(p-aminophenyl) Ether is a reagent used in the preparation of polyimide-silica composite membranes for gas separation techniques. In addition, it is used in the synthesis of polymer films for electrolyte membranes. Dyes and metabolites, Environmental Testing
Description4,40-Oxydianiline is a white crystalline solid,or a beige powder. Molecular weight =200.26; Boilingpoint ≥300℃ (sublimes); Freezing/Meltingpoint = 186-187℃; Flash point =219℃. Very slightlysoluble in water.
Uses4,4'-diaminodiphenylether be used for preparation polyimide and epoxy resin material.
UsesBis(p-aminophenyl) Ether is a reagent used in the preparation of polyimide-silica composite membranes for gas separation techniques. In addition, it is used in the synthesis of polymer films for elect rolyte membranes.
Uses4,4'-Oxydianiline has been used to produce polyimide resins.
General DescriptionOdorless colorless crystals or an odorless fine, beige powder.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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Additional notes
DefinitionChEBI: 4-Aminophenyl ether is an aromatic ether.
Related reactions
27 records
Linked notes
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