(4-Aminophenoxy)benzene
Basic information
- CAS
139-59-3- Standard SMILES
Nc1ccc(Oc2ccccc2)cc1- InChIKey
WOYZXEVUWXQVNV-UHFFFAOYSA-N- Molecular formula
- C12H11NO
- Average molar mass
- 185.22 g/mol
- Monoisotopic mass
- 185.08406397
Names & identifiers
- Preferred name
- (4-Aminophenoxy)benzene
- IUPAC
- 4-phenoxyaniline
- English name
- 4-Phenoxyaniline
- Molecular formula
- C12H11NO
- Molecular weight
- 185.22
Names & synonyms
4-PHENOXYANILINE139-59-34-Aminodiphenyl etherp-PhenoxyanilineBenzenamine, 4-phenoxy-Aniline, p-phenoxy-44P7PAW368(4-aminophenoxy)benzeneNSC-4629DTXSID8059687RefChem:518227DTXCID6034506
Show more names
3-Methyl-5-sulfanilamidoisothiazoleBidizoleAmidozoleNSC 139593AKOS B019893AKOS AUF020074-Phenoxanilinep-phenoxy-anilin
205-367-24-Phenoxybenzenamine4-Aminophenyl phenyl ether4-Amino-1-phenoxybenzene4-Aminodifenylether4-Aminobiphenyl ether4-Aminodiphenyletherp-Aminophenyl phenyl ether
Database identifiers
- CAS
139-59-3- PubChem CID
- 8764
- DTXSID
DTXSID8059687- ChEMBL
CHEMBL249550- UNII
- 44P7PAW368
- EC Number
- 205-367-2
- Nikkaji
- J33.852D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 158
Experimental & physicochemical properties
LogP2.36
Physicochemical properties
- Melting point
- 82 · 82-84 °C(lit.)
- Boiling point
- 140 °C · 140 °C (2.2503 mmHg)
- Density
- 1.0936 · 1.0936 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- storage temp.
- RT, protect from light
- form
- Crystalline Flakes or Powder
- pka
- 4.75 · 4.75±0.10(Predicted)
- color
- Brown to green-brown
- Water Solubility
- 1 g/L · < 1 g/L (20 ºC)
- BRN
- 777708 · 777708
- InChI
- InChI=1S/C12H11NO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H,13H2
- InChIKey
- WOYZXEVUWXQVNV-UHFFFAOYSA-N
- SMILES
- C1(N)=CC=C(OC2=CC=CC=C2)C=C1
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- F
- 9
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BY7930000
- hs_code
- 29222990
- Toxicity
- skn-rbt 500 mg/24H MLD 28ZPAK -,119,72
- risk_code
- 22-36/37/38-43-68-50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS06,GHS08,GHS09,GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-61-45-24
- hazard_class
- 9
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
Metabolism/Metabolites4-phenoxyaniline has known human metabolites that include N-(4-Phenoxyphenyl)acetamide.
Uses & manufacturing
General Manufacturing InformationBenzenamine, 4-phenoxy-: ACTIVE
Applications
Uses4-Phenoxyaniline is used as a dye intermediate.
Upstream & downstream products
Upstream raw materials
Related reactions
228 records
Compound notes
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