4-(4-Nitrophenoxy)benzenamine
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Basic information
- CAS
6149-33-3- Standard SMILES
Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
ASAOLTVUTGZJST-UHFFFAOYSA-N- Molecular formula
- C12H10N2O3
- Average molar mass
- 230.22 g/mol
- Monoisotopic mass
- 230.06914218
Names & identifiers
- Preferred name
- 4-(4-Nitrophenoxy)benzenamine
- IUPAC
- 4-(4-nitrophenoxy)aniline
- English name
- 4-(4-Nitrophenoxy)aniline
- Molecular formula
- C12H10N2O3
- Molecular weight
- 230.22
Names & synonyms
6149-33-34-Amino-4'-nitrodiphenyl ether9MM61IM2B5NSC-742734-(4-NITROPHENOXY)BENZENAMINEDTXSID70210452RefChem:977674-ANDEDTXCID70132943228-159-34-(4-Nitrophenoxy)anilineBenzenamine, 4-(4-nitrophenoxy)-
Show more names
4-(4-Nitrophenoxy)anp-(p-Nitrophenoxy)aniline4-nitro-2aminodiphenytether4-Amino-4'-nitrodiphenyl Ether >
MFCD00060609Oprea1_681434NSC 742734-(4-nitrophenoxy)phenylamineQ27272747EINECS 228-159-3CCRIS 80224-Amino-4'-nitro-diphenyl ether
Database identifiers
- CAS
6149-33-3- PubChem CID
- 80251
- DTXSID
DTXSID70210452- UNII
- 9MM61IM2B5
- EC Number
- 228-159-3
- Nikkaji
- J32.000E
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Melting point
- 132 °C · 132 °C
- Boiling point
- 387.4 · 387.4±22.0 °C(Predicted)
- Density
- 1.322 · 1.322±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- soluble in Acetone
- form
- powder to crystal
- pka
- 4.24 · 4.24±0.10(Predicted)
- color
- Orange to Brown to Dark red
- CAS DataBase Reference
- 6149 · 6149-33-3(CAS DataBase Reference)
- FDA UNII
- 9 MM61IM2B5 · 9MM61IM2B5
- NIST Chemistry Reference
- 4 · Benzenamine, 4-(4-nitrophenoxy)-(6149-33-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
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
H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)
Safety data
- wgk
- 3
- hs_code
- 2909301000
- risk_code
- 36/37/38-38-37-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT, IRRITANT-HARMFUL
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
Chemistry & industry
Applications
Uses4-(4-Nitrophenoxy)aniline is an aniline analogue used in the synthesis of 4-(4-amino-3-nitrophenoxy)-2-nitroaniline and N-[4-(4-aminophenoxy)phenyl]acetamide.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
6 records
Compound notes
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