Basic information
- CAS
28434-86-8- Standard SMILES
Nc1ccc(Oc2ccc(N)c(Cl)c2)cc1Cl- InChIKey
IVVWBIJMWBNKFV-UHFFFAOYSA-N- Molecular formula
- C12H10Cl2N2O
- Average molar mass
- 269.12 g/mol
- Monoisotopic mass
- 268.0170183
Overview
3,3'-Dichloro-4,4'-diamino-diphenyl Ether can cause cancer according to an independent committee of scientific and health experts.
Names & identifiers
- Preferred name
- 4,4'-Oxybis(2-chlorobenzenamine)
- IUPAC
- 4-(4-amino-3-chlorophenoxy)-2-chloroaniline
- English name
- 33DICHLORO44DIAMINODIPHENYLETHER
- Molecular formula
- C12H10Cl2N2O
- Molecular weight
- 269.13
Names & synonyms
3,3'-Dichloro-4,4'-diaminodiphenyl ether4,4'-Oxybis(2-chloroaniline)28434-86-8Bis(4-amino-3-chlorophenyl) etherAniline, 4,4'-oxybis(2-chloro-4,4'-Oxybis(2-chlorobenzenamine)Benzenamine, 4,4'-oxybis(2-chloro-87Z64NH7YXDTXSID5074842Benzenamine, 4,4'-oxybis[2-chloro-4,4'-Oxybis[2-chlorobenzenamine]RefChem:90674
Show more names
4,4''-OXYBIS(2-CHLOROANILINE)4-(4-amino-3-chloro-phenoxy)-2-chloro-aniline
DTXCID50378184-(4-amino-3-chlorophenoxy)-2-chloroaniline33DICHLORO44DIAMINODIPHENYLETHERCCRIS 2224,4'-Oxybis(2-chloro-benzenamine)Ether, bis(4-amino-3-chlorophenyl)3,3'-Dichlor-4,4'-diamino-diphenylaether [German]3,3'-Dichlor-4,4'-diamino-diphenylaether
Database identifiers
- CAS
28434-86-8- PubChem CID
- 34239
- DTXSID
DTXSID5074842- ChEBI
CHEBI:82316
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 231
Experimental & physicochemical properties
Chemical ClassesCarcinogens
Melting Point262 to 264 °F (NTP, 1992)
Physicochemical properties
- Boiling point
- 411.4 · 411.4±45.0 °C(Predicted)
- Density
- 1.4179 · 1.4179 (rough estimate)
- refractive index
- 1.549 · 1.5490 (estimate)
- pka
- 3.5 · 3.50±0.10(Predicted)
- FDA UNII
- 87 Z64NH7YX · 87Z64NH7YX
- IARC
- 2 B · 2B (Vol. 16, Sup 7) 1987
- EPA Substance Registry System
- 3 · 3,3'-Dichloro-4,4'-diaminodiphenyl ether (28434-86-8)
- Toxicity
- 100 mg/plate · mmo-sat 100 mg/plate SAIGBL 24,498,82
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H351: Suspected of causing cancer [Warning Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Hazard Traits - Carcinogenicity
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: There is sufficient evidence that this chemical is an animal carcinogen. When heated to decomposition it emits toxic fumes of chlorine and nitrogen oxides. (NTP, 1992)
Reactive GroupEthers
Reactivity Profile
3,3'-DICHLORO-4,4'-DIAMINODIPHENYL ETHER is an amine/ether. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Chemistry & industry
Additional notes
DefinitionChEBI: 3,3'-Dichloro-4,4'-diaminodiphenyl ether is an aromatic ether.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…